[{"issue":"8","type":"journal_article","intvolume":"        11","status":"public","PlanS_conform":"1","year":"2026","researchdata_availability":"no","oa":1,"date_published":"2026-08-14T00:00:00Z","date_created":"2026-08-18T11:34:03Z","publication":"ACS Energy Letters","tmp":{"image":"/images/cc_by.png","short":"CC BY (4.0)","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode"},"publication_status":"published","fulldoi":"https://doi.org/10.1021/acsenergylett.6c01499","quality_controlled":"1","file":[{"file_size":6806815,"creator":"dernst","file_id":"22736","content_type":"application/pdf","success":1,"relation":"main_file","date_updated":"2026-08-19T05:52:41Z","checksum":"4d75c5a79d112c845c9eecba8838db38","date_created":"2026-08-19T05:52:41Z","access_level":"open_access","file_name":"2026_ACSEnergyLetters_Liu.pdf"}],"OA_type":"hybrid","article_type":"letter_note","volume":11,"supplementarymaterial":"yes","license":"https://creativecommons.org/licenses/by/4.0/","das_tickbox":"0","page":"5752-5762","OA_place":"publisher","acknowledged_ssus":[{"_id":"EM-Fac"},{"_id":"LifeSc"},{"_id":"NanoFab"},{"_id":"MassSpec"}],"day":"14","author":[{"last_name":"Liu","orcid":"0000-0001-7313-6740","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","first_name":"Yu","full_name":"Liu, Yu"},{"last_name":"Kleinhanns","id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425","orcid":"0000-0003-1537-7436","first_name":"Tobias","full_name":"Kleinhanns, Tobias"},{"first_name":"Maria Chiara","full_name":"Spadaro, Maria Chiara","last_name":"Spadaro"},{"full_name":"Genç, Aziz","first_name":"Aziz","last_name":"Genç"},{"id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc","last_name":"Horta","full_name":"Horta, Sharona","first_name":"Sharona"},{"first_name":"Navita","full_name":"Navita, Navita","last_name":"Navita","id":"6ebe278d-ba0b-11ee-8184-f34cdc671de4","orcid":"0000-0001-7408-8197"},{"last_name":"Costanzo","orcid":"0000-0001-9732-3815","id":"D93824F4-D9BA-11E9-BB12-F207E6697425","first_name":"Tommaso","full_name":"Costanzo, Tommaso"},{"id":"0601cc46-c082-11ec-9b07-bb29641d1de9","last_name":"Dutkiewicz","first_name":"Ewelina","full_name":"Dutkiewicz, Ewelina"},{"first_name":"Jordi","full_name":"Arbiol, Jordi","last_name":"Arbiol"},{"last_name":"Hong","full_name":"Hong, Min","first_name":"Min"},{"first_name":"Maria","full_name":"Ibáñez, Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","orcid":"0000-0001-5013-2843"}],"acknowledgement":"Open access funding provided by Institute of Science and Technology Austria. M.I. acknowledges financial support from ISTA and the Werner Siemens Foundation. The Scientific Service Units (SSU) of ISTA supported this work through resources provided by the Electron Microscopy Facility (EMF), the Lab Support Facility (LSF), the Nanofabrication Facility (NNF), and the Mass Spectrometry Facility. Y.L. acknowledges funding from the National Natural Science Foundation of China (NSFC) (grant no. 22209034) and the Fundamental Research Funds for the Central Universities (JZ2024HGTB0239). M.H. acknowledges funding from Australian Research Council (FT230100316), and the high-performance computing resources provided by National Computational Infrastructure (it39) and Pawsey Supercomputing Centre (pawsey1075). ICN2 acknowledges funding from Generalitat de Catalunya 2021SGR00457. The authors thank support from the project AMaDE (PID2023-149158OB-C43), funded by MCIN/AEI/10.13039/501100011033/ and by the “ERDF Away of making Europe”, by the “European Union”. ICN2 is supported by the Severo Ochoa program from Spanish MCIN/AEI (grant no.: CEX2021-001214-S) and is funded by the CERCA Programme/Generalitat de Catalunya. Authors acknowledge the use of instrumentation as well as the technical advice provided by the Joint Electron Microscopy Center at ALBA (JEMCA). ICN2 acknowledges funding from Grant IU16-014206 (METCAM-FIB) funded by the European Union through the European Regional Development Fund (ERDF), with the support of the Ministry of Research and Universities, Generalitat de Catalunya. ICN2 is founding member of e-DREAM. (91)","_id":"22734","publisher":"American Chemical Society","date_updated":"2026-08-19T05:53:33Z","ddc":["540"],"title":"Exploiting mismatch strain and the β–α phase transition for microstructural engineering in thermoelectric Ag2Se","citation":{"apa":"Liu, Y., Kleinhanns, T., Spadaro, M. C., Genç, A., Horta, S., Jakhar, N., … Ibáñez, M. (2026). Exploiting mismatch strain and the β–α phase transition for microstructural engineering in thermoelectric Ag2Se. <i>ACS Energy Letters</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsenergylett.6c01499\">https://doi.org/10.1021/acsenergylett.6c01499</a>","mla":"Liu, Yu, et al. “Exploiting Mismatch Strain and the β–α Phase Transition for Microstructural Engineering in Thermoelectric Ag2Se.” <i>ACS Energy Letters</i>, vol. 11, no. 8, American Chemical Society, 2026, pp. 5752–62, doi:<a href=\"https://doi.org/10.1021/acsenergylett.6c01499\">10.1021/acsenergylett.6c01499</a>.","ama":"Liu Y, Kleinhanns T, Spadaro MC, et al. Exploiting mismatch strain and the β–α phase transition for microstructural engineering in thermoelectric Ag2Se. <i>ACS Energy Letters</i>. 2026;11(8):5752-5762. doi:<a href=\"https://doi.org/10.1021/acsenergylett.6c01499\">10.1021/acsenergylett.6c01499</a>","short":"Y. Liu, T. Kleinhanns, M.C. Spadaro, A. Genç, S. Horta, N. Jakhar, T. Costanzo, E. Dutkiewicz, J. Arbiol, M. Hong, M. Ibáñez, ACS Energy Letters 11 (2026) 5752–5762.","chicago":"Liu, Yu, Tobias Kleinhanns, Maria Chiara Spadaro, Aziz Genç, Sharona Horta, Navita Jakhar, Tommaso Costanzo, et al. “Exploiting Mismatch Strain and the β–α Phase Transition for Microstructural Engineering in Thermoelectric Ag2Se.” <i>ACS Energy Letters</i>. American Chemical Society, 2026. <a href=\"https://doi.org/10.1021/acsenergylett.6c01499\">https://doi.org/10.1021/acsenergylett.6c01499</a>.","ista":"Liu Y, Kleinhanns T, Spadaro MC, Genç A, Horta S, Jakhar N, Costanzo T, Dutkiewicz E, Arbiol J, Hong M, Ibáñez M. 2026. Exploiting mismatch strain and the β–α phase transition for microstructural engineering in thermoelectric Ag2Se. ACS Energy Letters. 11(8), 5752–5762.","ieee":"Y. Liu <i>et al.</i>, “Exploiting mismatch strain and the β–α phase transition for microstructural engineering in thermoelectric Ag2Se,” <i>ACS Energy Letters</i>, vol. 11, no. 8. American Chemical Society, pp. 5752–5762, 2026."},"file_date_updated":"2026-08-19T05:52:41Z","doi":"10.1021/acsenergylett.6c01499","publication_identifier":{"eissn":["2380-8195"]},"abstract":[{"text":"Silver selenide (Ag2Se) is a promising near-room-temperature thermoelectric material, but its narrow stoichiometric window and β–α phase transition complicate reproducible microstructure control. Here, we present a mismatch-assisted microstructure engineering strategy in which Ag2Se particles are treated with polyanionic ZnSe complexes and consolidated through the β–α transition to introduce ZnSe nanoprecipitates, Ag2Se/ZnSe interfaces, and local strain fields. The crystallographic mismatch between ZnSe and Ag2Se, together with the Zn2+/Ag+ size difference, amplifies phase-transition-induced deformation and promotes high-density dislocations with periodic strain modulations. This defect architecture suppresses grain coarsening, removes excess Ag, limits Ag-interstitial formation, and reduces lattice thermal conductivity through lattice softening and multiscale phonon scattering. Ag2Se–4%ZnSe nanocomposites achieve a peak zTmax of 1.13 at 369 K and a zTavg of 1.08 from 300 to 380 K, demonstrating mismatch-driven defect engineering through the β–α phase transition as a route for optimizing Ag2Se-based thermoelectrics.","lang":"eng"}],"article_processing_charge":"Yes (via OA deal)","has_accepted_license":"1","department":[{"_id":"MassSpec"},{"_id":"MaIb"},{"_id":"GradSch"},{"_id":"EM-Fac"}],"corr_author":"1","project":[{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"oa_version":"Published Version","scopus_import":"1","language":[{"iso":"eng"}],"month":"08","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87"},{"dataavailabilitystatement":"The RNA-seq data generated in this study have been deposited in the GSA database under accession code CRA008967. The scRNA-seq data generated in this study have been deposited in the GSA database under accession code CRA026200. The ATAC-seq data generated in this study have been deposited in the GSA database under accession code CRA008969. The ChIP-seq data generated in this study have been deposited in the GSA database under accession code CRA008968. Single-cell RNA-seq data and scripts are publicly available on Zenodo (https://zenodo.org/records/20392012). Primers are in Supplemental Table 5. Source data are provided with this paper.","article_number":"7994","oa_version":"Published Version","scopus_import":"1","language":[{"iso":"eng"}],"month":"08","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","external_id":{"pmid":["42350386"]},"acknowledgement":"The authors are grateful to Professor Linfeng Li from the School of Life Science, Fudan University, for his assistance during the ginseng genome annotation. This work was supported by Key project at central government level: The ability establishment of sustainable use for valuable Chinese medicine resources (2060302-2401-08 to L.X. and J.L.), the National Natural Science Foundation of China (82373987 to J.L., 31701294 to L.X., 32225007 to L.X., and 32300285 to N.Z.), the Fundamental Research Funds for the Central public welfare research institutes (ZZ13-YQ-093, ZZXT202508 to J.L.), the CACMS Innovation Fund (CI2025G00-06 to J.L.), the Principle Investigator Program (HBMUPI202104 to Y.Z.), the Key R&D Program of Shandong Province, China (2024LZGC025 to L.X.), the National Key R&D Program of China (2024YFF1000700/2023YFE0101100 to L.X.), Strategic Priority Research Program of Chinese Academy of Sciences (XDB0630000 to L.X.), and China Postdoctoral Science Foundation (2023M733490 to N.Z.).","ddc":["580"],"date_updated":"2026-08-20T06:45:46Z","publisher":"Springer Nature","_id":"22712","title":"Single-cell analyses identify the ginseng embryonic protoderm as a native compartment for high-efficiency ginsenoside production","publication_identifier":{"eissn":["2041-1723"]},"abstract":[{"lang":"eng","text":"Ginseng (Panax ginseng) derives its renowned therapeutic properties from ginsenoside metabolites. However, the long cultivation cycle and susceptibility to diseases hinder the advancement of the ginseng industry. Here, we demonstrate that the embryonic protoderm of ginseng can efficiently produce ginsenosides. Single-cell transcriptome and mass spectrometry imaging analyses reveal that ginsenosides accumulate in the protoderm of ginseng embryonic callus (EC) at levels comparable to those in forest ginseng. Epigenetic analyses indicate that elevated histone acetylation and enhanced chromatin accessibility at regeneration- and ginsenoside metabolism-related gene loci are associated with the ginsenoside-producing capacity of EC. Increasing histone acetylation levels or overexpressing the regeneration-related WUSCHEL-RELATED HOMEOBOX11 (WOX11) gene further enhances ginsenoside production in EC. Our findings suggest that the protoderm of EC could serve as an in situ biological compartment for high-efficiency ginsenoside producion, offering a complementary approach to traditional ginseng cultivation."}],"citation":{"mla":"Liu, Juan, et al. “Single-Cell Analyses Identify the Ginseng Embryonic Protoderm as a Native Compartment for High-Efficiency Ginsenoside Production.” <i>Nature Communications</i>, vol. 17, 7994, Springer Nature, 2026, doi:<a href=\"https://doi.org/10.1038/s41467-026-74881-5\">10.1038/s41467-026-74881-5</a>.","apa":"Liu, J., Zhai, N., Zhang, S., Tamada, Y., Li, T., Zhang, L., … Huang, L. (2026). Single-cell analyses identify the ginseng embryonic protoderm as a native compartment for high-efficiency ginsenoside production. <i>Nature Communications</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s41467-026-74881-5\">https://doi.org/10.1038/s41467-026-74881-5</a>","ieee":"J. Liu <i>et al.</i>, “Single-cell analyses identify the ginseng embryonic protoderm as a native compartment for high-efficiency ginsenoside production,” <i>Nature Communications</i>, vol. 17. Springer Nature, 2026.","ista":"Liu J, Zhai N, Zhang S, Tamada Y, Li T, Zhang L, Chen T, Wang C, Yang J, Gao J, Li X, Zhou J, Zhang Y, Liu Y, Wang Y, Friml J, Benková E, Li C, Xu L, Huang L. 2026. Single-cell analyses identify the ginseng embryonic protoderm as a native compartment for high-efficiency ginsenoside production. Nature Communications. 17, 7994.","short":"J. Liu, N. Zhai, S. Zhang, Y. Tamada, T. Li, L. Zhang, T. Chen, C. Wang, J. Yang, J. Gao, X. Li, J. Zhou, Y. Zhang, Y. Liu, Y. Wang, J. Friml, E. Benková, C. Li, L. Xu, L. Huang, Nature Communications 17 (2026).","chicago":"Liu, Juan, Ning Zhai, Shiyi Zhang, Yosuke Tamada, Tonghui Li, Linfan Zhang, Tong Chen, et al. “Single-Cell Analyses Identify the Ginseng Embryonic Protoderm as a Native Compartment for High-Efficiency Ginsenoside Production.” <i>Nature Communications</i>. Springer Nature, 2026. <a href=\"https://doi.org/10.1038/s41467-026-74881-5\">https://doi.org/10.1038/s41467-026-74881-5</a>.","ama":"Liu J, Zhai N, Zhang S, et al. Single-cell analyses identify the ginseng embryonic protoderm as a native compartment for high-efficiency ginsenoside production. <i>Nature Communications</i>. 2026;17. doi:<a href=\"https://doi.org/10.1038/s41467-026-74881-5\">10.1038/s41467-026-74881-5</a>"},"doi":"10.1038/s41467-026-74881-5","file_date_updated":"2026-08-20T06:44:33Z","article_processing_charge":"Yes","DOAJ_listed":"1","department":[{"_id":"JiFr"},{"_id":"EvBe"}],"has_accepted_license":"1","file":[{"success":1,"file_id":"22742","content_type":"application/pdf","creator":"dernst","file_size":2429551,"file_name":"2026_NatureComm_Liu.pdf","date_created":"2026-08-20T06:44:33Z","access_level":"open_access","relation":"main_file","date_updated":"2026-08-20T06:44:33Z","checksum":"0b4ff29f0d0168b11be32a5f22ded9e4"}],"quality_controlled":"1","pmid":1,"article_type":"original","OA_type":"gold","supplementarymaterial":"yes","volume":17,"das_tickbox":"1","OA_place":"publisher","day":"07","author":[{"last_name":"Liu","first_name":"Juan","full_name":"Liu, Juan"},{"full_name":"Zhai, Ning","first_name":"Ning","last_name":"Zhai"},{"last_name":"Zhang","first_name":"Shiyi","full_name":"Zhang, Shiyi"},{"last_name":"Tamada","first_name":"Yosuke","full_name":"Tamada, Yosuke"},{"last_name":"Li","full_name":"Li, Tonghui","first_name":"Tonghui"},{"full_name":"Zhang, Linfan","first_name":"Linfan","last_name":"Zhang"},{"last_name":"Chen","first_name":"Tong","full_name":"Chen, Tong"},{"last_name":"Wang","first_name":"Chenglin","full_name":"Wang, Chenglin"},{"full_name":"Yang, Jian","first_name":"Jian","last_name":"Yang"},{"first_name":"Jiaqi","full_name":"Gao, Jiaqi","last_name":"Gao"},{"id":"4B7E523C-F248-11E8-B48F-1D18A9856A87","last_name":"Li","full_name":"Li, Xiang","first_name":"Xiang"},{"full_name":"Zhou, Junhui","first_name":"Junhui","last_name":"Zhou"},{"last_name":"Zhang","full_name":"Zhang, Yonghong","first_name":"Yonghong"},{"first_name":"Yu","full_name":"Liu, Yu","last_name":"Liu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-7313-6740"},{"last_name":"Wang","full_name":"Wang, Yuan","first_name":"Yuan"},{"last_name":"Friml","orcid":"0000-0002-8302-7596","id":"4159519E-F248-11E8-B48F-1D18A9856A87","first_name":"Jiří","full_name":"Friml, Jiří"},{"orcid":"0000-0002-8510-9739","last_name":"Benková","id":"38F4F166-F248-11E8-B48F-1D18A9856A87","full_name":"Benková, Eva","first_name":"Eva"},{"first_name":"Chen","full_name":"Li, Chen","last_name":"Li"},{"last_name":"Xu","full_name":"Xu, Lin","first_name":"Lin"},{"last_name":"Huang","first_name":"Luqi","full_name":"Huang, Luqi"}],"type":"journal_article","status":"public","year":"2026","researchdata_availability":"yes","intvolume":"        17","date_published":"2026-08-07T00:00:00Z","oa":1,"date_created":"2026-08-16T22:01:42Z","tmp":{"image":"/images/cc_by_nc_nd.png","short":"CC BY-NC-ND (4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode","name":"Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)"},"publication":"Nature Communications","fulldoi":"https://doi.org/10.1038/s41467-026-74881-5","publication_status":"published"},{"publication":"Chemistry of Materials","tmp":{"image":"/images/cc_by.png","short":"CC BY (4.0)","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode"},"publication_status":"published","fulldoi":"https://doi.org/10.1021/acs.chemmater.6c01284","oa":1,"date_published":"2026-09-22T00:00:00Z","date_created":"2026-09-21T10:33:48Z","issue":"18","type":"journal_article","intvolume":"        38","year":"2026","status":"public","researchdata_availability":"no","PlanS_conform":"1","acknowledged_ssus":[{"_id":"EM-Fac"},{"_id":"NanoFab"}],"day":"22","author":[{"id":"bd3fceba-dc74-11ea-a0a7-c17f71817366","last_name":"Fiedler","first_name":"Christine","full_name":"Fiedler, Christine"},{"last_name":"Horta","id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc","full_name":"Horta, Sharona","first_name":"Sharona"},{"orcid":"0000-0001-7408-8197","id":"6ebe278d-ba0b-11ee-8184-f34cdc671de4","last_name":"Navita","full_name":"Navita, Navita","first_name":"Navita"},{"full_name":"Maji, Krishnendu","first_name":"Krishnendu","last_name":"Maji","id":"76bc9e9f-ba0b-11ee-8184-90edabd17a58"},{"full_name":"Kleinhanns, Tobias","first_name":"Tobias","id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425","orcid":"0000-0003-1537-7436","last_name":"Kleinhanns"},{"last_name":"Llorca","first_name":"Jordi","full_name":"Llorca, Jordi"},{"first_name":"Qi","full_name":"Wang, Qi","last_name":"Wang","id":"0d37923a-aca1-11ef-951f-fd411b71d5f0"},{"id":"1ffff7cd-ed76-11ed-8d5f-be5e7c364eb9","last_name":"Ramon","first_name":"Maria Garcia","full_name":"Ramon, Maria Garcia"},{"last_name":"Das","first_name":"Sambit","full_name":"Das, Sambit"},{"last_name":"Gavini","first_name":"Vikram","full_name":"Gavini, Vikram"},{"orcid":"0000-0001-7313-6740","last_name":"Liu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","full_name":"Liu, Yu","first_name":"Yu"},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","first_name":"Maria"}],"das_tickbox":"0","page":"9323–9332","ec_funded":1,"OA_place":"publisher","volume":38,"supplementarymaterial":"yes","quality_controlled":"1","file":[{"creator":"dernst","file_size":7461570,"success":1,"content_type":"application/pdf","file_id":"23063","date_updated":"2026-10-06T12:11:04Z","relation":"main_file","checksum":"15e7866ca4fd57f5526737945651a6f2","file_name":"2026_ChemistryMaterials_Fiedler.pdf","date_created":"2026-10-06T12:11:04Z","access_level":"open_access"}],"OA_type":"hybrid","article_type":"original","pmid":1,"has_accepted_license":"1","department":[{"_id":"MaIb"},{"_id":"GradSch"},{"_id":"NanoFab"}],"corr_author":"1","doi":"10.1021/acs.chemmater.6c01284","citation":{"short":"C. Fiedler, S. Horta, N. Jakhar, K. Maji, T. Kleinhanns, J. Llorca, Q. Wang, M.G. Ramon, S. Das, V. Gavini, Y. Liu, M. Ibáñez, Chemistry of Materials 38 (2026) 9323–9332.","chicago":"Fiedler, Christine, Sharona Horta, Navita Jakhar, Krishnendu Maji, Tobias Kleinhanns, Jordi Llorca, Qi Wang, et al. “Alkali Ions Retained from Synthesis Govern Microstructure and Transport in Solution-Processed SnSe.” <i>Chemistry of Materials</i>. American Chemical Society, 2026. <a href=\"https://doi.org/10.1021/acs.chemmater.6c01284\">https://doi.org/10.1021/acs.chemmater.6c01284</a>.","ama":"Fiedler C, Horta S, Jakhar N, et al. Alkali ions retained from synthesis govern microstructure and transport in solution-processed SnSe. <i>Chemistry of Materials</i>. 2026;38(18):9323–9332. doi:<a href=\"https://doi.org/10.1021/acs.chemmater.6c01284\">10.1021/acs.chemmater.6c01284</a>","ieee":"C. Fiedler <i>et al.</i>, “Alkali ions retained from synthesis govern microstructure and transport in solution-processed SnSe,” <i>Chemistry of Materials</i>, vol. 38, no. 18. American Chemical Society, pp. 9323–9332, 2026.","ista":"Fiedler C, Horta S, Jakhar N, Maji K, Kleinhanns T, Llorca J, Wang Q, Ramon MG, Das S, Gavini V, Liu Y, Ibáñez M. 2026. Alkali ions retained from synthesis govern microstructure and transport in solution-processed SnSe. Chemistry of Materials. 38(18), 9323–9332.","mla":"Fiedler, Christine, et al. “Alkali Ions Retained from Synthesis Govern Microstructure and Transport in Solution-Processed SnSe.” <i>Chemistry of Materials</i>, vol. 38, no. 18, American Chemical Society, 2026, pp. 9323–9332, doi:<a href=\"https://doi.org/10.1021/acs.chemmater.6c01284\">10.1021/acs.chemmater.6c01284</a>.","apa":"Fiedler, C., Horta, S., Jakhar, N., Maji, K., Kleinhanns, T., Llorca, J., … Ibáñez, M. (2026). Alkali ions retained from synthesis govern microstructure and transport in solution-processed SnSe. <i>Chemistry of Materials</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acs.chemmater.6c01284\">https://doi.org/10.1021/acs.chemmater.6c01284</a>"},"file_date_updated":"2026-10-06T12:11:04Z","publication_identifier":{"issn":["0897-4756"],"eissn":["1520-5002"]},"abstract":[{"text":"Alkali salts are widely used in solution processing, yet the corresponding cations are often assumed to remain in the liquid phase. Here, we show that alkali ions introduced during the solution synthesis of SnSe are retained through particle isolation and continue to influence the material during subsequent thermal processing, where they shape the evolution of the final polycrystalline material. Different SnSe powders were prepared using Li+, Na+, and K+ precursors, as well as tetramethylammonium (TMA+) precursors as a nonalkali reference for comparison, and all samples were consolidated under identical conditions. Although all three alkali ions were found in the matrix, at grain boundaries, and in segregated nanoscale regions, they partitioned differently and resulted in distinct grain sizes, defect distributions, and therefore transport properties. Li induced the strongest grain size heterogeneity and the lowest energy barriers, Na the best overall balance between carrier concentration and mobility, and K the broadest alkali-rich grain boundary regions along with the strongest interfacial penalty to charge carrier transport. These results show that residual alkali ions are not just remnants of solution synthesis but active determinants of microstructure and thermoelectric performance in SnSe.","lang":"eng"}],"article_processing_charge":"Yes (via OA deal)","title":"Alkali ions retained from synthesis govern microstructure and transport in solution-processed SnSe","acknowledgement":"ISTA and the Werner Siemens Foundation financially supported this work. The Scientific Service Units (SSU) of ISTA supported this research through resources provided by the Electron Microscopy Facility (EMF), Juan Aguilera Servin from the Nanofabrication facility (NNF). Special acknowledgments to the Ibá\r\nez group for their fruitful discussions and insights. K.M. acknowledges the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie grant agreement No. 101034413 and PETRAIII at DESY for the synchrotron X-ray measurements under proposal No. I-20241048 EC. JL is a Serra Húnter Fellow and is grateful to the Academia Excellence program (Generalitat de Catalunya), project PID2024-156765OB-C21 funded by MICIU/AEI/10.13039/501100011033 and the European Regional Development Fund (FEDER), and María de Maeztu Units of Excellence Programme CEX2023-001300 M, funded by MCIN/AEI 10.13039/501100011033. VG and SD acknowledge the use of resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Y.L. acknowledges funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411, the National Natural Science Foundation of China (NSFC) (Grants No. 22209034).","external_id":{"pmid":["42787739"]},"publisher":"American Chemical Society","_id":"22967","ddc":["540"],"date_updated":"2026-10-06T12:16:03Z","scopus_import":"1","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","month":"09","language":[{"iso":"eng"}],"oa_version":"Published Version","project":[{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"},{"grant_number":"101034413","name":"IST-BRIDGE: International postdoctoral program","_id":"fc2ed2f7-9c52-11eb-aca3-c01059dda49c","call_identifier":"H2020"},{"call_identifier":"H2020","_id":"260C2330-B435-11E9-9278-68D0E5697425","name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411"}]},{"publication":"Advanced Functional Materials","fulldoi":"https://doi.org/10.1002/adfm.202421449","publication_status":"published","type":"journal_article","issue":"24","status":"public","year":"2025","intvolume":"        35","date_published":"2025-06-19T00:00:00Z","date_created":"2025-01-26T23:01:50Z","day":"19","isi":1,"author":[{"first_name":"Xueke","full_name":"Zhao, Xueke","last_name":"Zhao"},{"last_name":"Li","full_name":"Li, Mengyao","first_name":"Mengyao"},{"last_name":"Jia","first_name":"Mochen","full_name":"Jia, Mochen"},{"last_name":"Fiedler","id":"bd3fceba-dc74-11ea-a0a7-c17f71817366","first_name":"Christine","full_name":"Fiedler, Christine"},{"first_name":"Bingfei","full_name":"Nan, Bingfei","last_name":"Nan"},{"full_name":"Yang, Dongwen","first_name":"Dongwen","last_name":"Yang"},{"last_name":"Li","full_name":"Li, Lei","first_name":"Lei"},{"first_name":"Zicheng","full_name":"Yuan, Zicheng","last_name":"Yuan"},{"last_name":"Song","full_name":"Song, Hongzhang","first_name":"Hongzhang"},{"first_name":"Yu","full_name":"Liu, Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","last_name":"Liu","orcid":"0000-0001-7313-6740"},{"orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","full_name":"Ibáñez, Maria","first_name":"Maria"},{"last_name":"Wang","full_name":"Wang, Ziyu","first_name":"Ziyu"},{"last_name":"Shan","first_name":"Chongxin","full_name":"Shan, Chongxin"},{"full_name":"Cabot, Andreu","first_name":"Andreu","last_name":"Cabot"}],"quality_controlled":"1","OA_type":"closed access","article_type":"original","volume":35,"abstract":[{"lang":"eng","text":"Ternary liquid-like thermoelectric materials have garnered significant attention due to their ultra-low lattice thermal conductivity. Among these, Ag8SnSe6 stands out for its exceptionally low sound velocity and thermal conductivity. However, the inherent poor electrical conductivity and suboptimal thermoelectric properties of Ag8SnSe6 necessitate further improvement. Here, a novel approach is initiated to enhance the thermoelectric properties of Ag8SnSe6 by combining low-dimensionalization with intrinsic doping. For the first time, this work successfully synthesizes single-phase Ag8SnSe6 nanocrystals, ≈10 nm in size, with the correct phase and composition using a robust and reliable colloidal method. This approach represents a significant improvement over previous reports on this material. Reducing the crystal domains of Ag8SnSe6 to the nanoscale induces quantum confinement effects, increasing the density of states near the Fermi surface. It also introduces additional grain boundaries, which lower the lattice thermal conductivity and simplify structural design. Moreover, incorporating small amounts of Sn nanopowder into the Ag8SnSe6 nanocrystals before consolidation further enhances the thermoelectric performance. Sn acts as a donor dopant, increasing the electronic concentration while at the same time improving their mobility by reducing interface barriers, thus significantly improving the material transport properties. Additionally, the presence of Sn leads to the formation of point defects, dislocations, and secondary phases, which increase phonon scattering and further reduce the thermal conductivity. Through this synergistic optimization, the figure of merit  shows a significant increase across a wide temperature range. Overall, a strategy is presented for the controlled preparation of Ag8SnSe6 nanocrystals, the decoupling of their electrical and thermal transport, and the practical application of this material to thermoelectric single-leg modules."}],"publication_identifier":{"issn":["1616-301X"],"eissn":["1616-3028"]},"doi":"10.1002/adfm.202421449","citation":{"apa":"Zhao, X., Li, M., Jia, M., Fiedler, C., Nan, B., Yang, D., … Cabot, A. (2025). Low-dimensional structure modulation in Ag8SnSe6 for enhanced thermoelectric performance. <i>Advanced Functional Materials</i>. Wiley. <a href=\"https://doi.org/10.1002/adfm.202421449\">https://doi.org/10.1002/adfm.202421449</a>","mla":"Zhao, Xueke, et al. “Low-Dimensional Structure Modulation in Ag8SnSe6 for Enhanced Thermoelectric Performance.” <i>Advanced Functional Materials</i>, vol. 35, no. 24, 2421449, Wiley, 2025, doi:<a href=\"https://doi.org/10.1002/adfm.202421449\">10.1002/adfm.202421449</a>.","ista":"Zhao X, Li M, Jia M, Fiedler C, Nan B, Yang D, Li L, Yuan Z, Song H, Liu Y, Ibáñez M, Wang Z, Shan C, Cabot A. 2025. Low-dimensional structure modulation in Ag8SnSe6 for enhanced thermoelectric performance. Advanced Functional Materials. 35(24), 2421449.","ieee":"X. Zhao <i>et al.</i>, “Low-dimensional structure modulation in Ag8SnSe6 for enhanced thermoelectric performance,” <i>Advanced Functional Materials</i>, vol. 35, no. 24. Wiley, 2025.","ama":"Zhao X, Li M, Jia M, et al. Low-dimensional structure modulation in Ag8SnSe6 for enhanced thermoelectric performance. <i>Advanced Functional Materials</i>. 2025;35(24). doi:<a href=\"https://doi.org/10.1002/adfm.202421449\">10.1002/adfm.202421449</a>","chicago":"Zhao, Xueke, Mengyao Li, Mochen Jia, Christine Fiedler, Bingfei Nan, Dongwen Yang, Lei Li, et al. “Low-Dimensional Structure Modulation in Ag8SnSe6 for Enhanced Thermoelectric Performance.” <i>Advanced Functional Materials</i>. Wiley, 2025. <a href=\"https://doi.org/10.1002/adfm.202421449\">https://doi.org/10.1002/adfm.202421449</a>.","short":"X. Zhao, M. Li, M. Jia, C. Fiedler, B. Nan, D. Yang, L. Li, Z. Yuan, H. Song, Y. Liu, M. Ibáñez, Z. Wang, C. Shan, A. Cabot, Advanced Functional Materials 35 (2025)."},"article_processing_charge":"No","department":[{"_id":"MaIb"},{"_id":"GradSch"}],"external_id":{"isi":["001398067000001"]},"acknowledgement":"X.Z. and M.L. contributed equally to this work. This work was supported by the National Key R&D Program of China (No. 2024YFE0105200). Also supported by the China Postdoctoral Science Foundation under Grant Number 2023M743151. M.J. acknowledges funding from the China Postdoctoral Science Foundation (No. 2023M743221). A.C. thanks the support from the projects ENE2016-77798-C4-3-R and NANOGEN (PID2020-116093RB-C43), funded by MCIN/ AEI/10.13039/501100011033/ and by “ERDF A way of making Europe”, by the “European Union”.","date_updated":"2025-12-30T07:17:39Z","publisher":"Wiley","_id":"18882","title":"Low-dimensional structure modulation in Ag8SnSe6 for enhanced thermoelectric performance","oa_version":"None","scopus_import":"1","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","language":[{"iso":"eng"}],"month":"06","article_number":"2421449"},{"oa_version":"None","language":[{"iso":"eng"}],"month":"09","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","scopus_import":"1","article_processing_charge":"No","abstract":[{"lang":"eng","text":"SnTe has attracted significant research interest as a lead-free alternative to PbTe; however, its intrinsically high hole concentration results in an undesirably low Seebeck coefficient and elevated electronic thermal conductivity, thus significantly limiting its thermoelectric (TE) performance. Herein, we present a cost-effective, binary thiol-amine-mediated colloidal synthesis method to synthesize Bi-doped SnTe nanoparticles, eliminating the use of tri-n-octylphosphine-based precursors. The introduction of an electron-rich Bi dopant reduces the hole concentration and increases the Seebeck coefficient. Furthermore, post-synthetic surface treatment with chalcogenidocadmate complexes promotes atomic interdiffusion during annealing and consolidation, leading to compositional redistribution and modulation of the electronic band structure. Density functional theory (DFT) calculations reveal that co-modification via Bi doping and CdSe-derived chalcogen incorporation reduces the energy offset at the valence band maxima from 0.30 eV to 0.10 eV, thereby enhancing valence band degeneracy. The synergistic structural and electronic band structure modulations produce an SnTe-based material with a record high power factor of 2.1 mW m–1 K–2 at 900 K, a maximum TE figure of merit (zT) of 1.2, and a promising theoretical conversion efficiency of 8.3%. This study reports a versatile and scalable colloidal synthesis strategy that integrates hierarchical structural modulation with electronic band engineering, offering a synergistic route to significantly enhance the TE performance."}],"publication_identifier":{"eissn":["1936-086X"],"issn":["1936-0851"]},"citation":{"chicago":"Meng, Weite, Lixiang Xu, Shaoqing Lu, Mingquan Li, Mengyao Li, Yu Zhang, Qingyue Wang, et al. “Thiol-Amine Complexes for the Synthesis and Surface Engineering of SnTe Nanomaterials toward High Thermoelectric Performance.” <i>ACS Nano</i>. American Chemical Society, 2025. <a href=\"https://doi.org/10.1021/acsnano.5c12627\">https://doi.org/10.1021/acsnano.5c12627</a>.","short":"W. Meng, L. Xu, S. Lu, M. Li, M. Li, Y. Zhang, Q. Wang, W.J. Wang, S. Huo, M.A. Bañares, M. Martin-Gonzalez, M. Ibáñez, A. Cabot, M. Hong, Y. Liu, K.H. Lim, ACS Nano 19 (2025) 34395–34407.","ama":"Meng W, Xu L, Lu S, et al. Thiol-Amine complexes for the synthesis and surface engineering of SnTe nanomaterials toward high thermoelectric performance. <i>ACS Nano</i>. 2025;19(38):34395-34407. doi:<a href=\"https://doi.org/10.1021/acsnano.5c12627\">10.1021/acsnano.5c12627</a>","ieee":"W. Meng <i>et al.</i>, “Thiol-Amine complexes for the synthesis and surface engineering of SnTe nanomaterials toward high thermoelectric performance,” <i>ACS Nano</i>, vol. 19, no. 38. American Chemical Society, pp. 34395–34407, 2025.","ista":"Meng W, Xu L, Lu S, Li M, Li M, Zhang Y, Wang Q, Wang WJ, Huo S, Bañares MA, Martin-Gonzalez M, Ibáñez M, Cabot A, Hong M, Liu Y, Lim KH. 2025. Thiol-Amine complexes for the synthesis and surface engineering of SnTe nanomaterials toward high thermoelectric performance. ACS Nano. 19(38), 34395–34407.","mla":"Meng, Weite, et al. “Thiol-Amine Complexes for the Synthesis and Surface Engineering of SnTe Nanomaterials toward High Thermoelectric Performance.” <i>ACS Nano</i>, vol. 19, no. 38, American Chemical Society, 2025, pp. 34395–407, doi:<a href=\"https://doi.org/10.1021/acsnano.5c12627\">10.1021/acsnano.5c12627</a>.","apa":"Meng, W., Xu, L., Lu, S., Li, M., Li, M., Zhang, Y., … Lim, K. H. (2025). Thiol-Amine complexes for the synthesis and surface engineering of SnTe nanomaterials toward high thermoelectric performance. <i>ACS Nano</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsnano.5c12627\">https://doi.org/10.1021/acsnano.5c12627</a>"},"doi":"10.1021/acsnano.5c12627","department":[{"_id":"MaIb"}],"date_updated":"2025-12-01T12:50:24Z","_id":"20426","publisher":"American Chemical Society","external_id":{"isi":["001575398100001"],"pmid":["40974325"]},"acknowledgement":"Y.L. acknowledges funding from the National Natural Science Foundation of China (NSFC) (Grant No. 22209034), the Innovation and Entrepreneurship Project of Overseas Returnees in Anhui Province (Grant No. 2022LCX002), and the Fundamental Research Funds for the Central Universities (JZ2024HGTB0239). K.H.L. acknowledges financial support from the National Natural Science Foundation of China (NSFC) (Grant No. 22208293) and the National Foreign Expert Project (Y20240175). Y.Z. acknowledges funding from the NSFC (Grant No. 52502313) and Wenzhou Basic Scientific Research Project (Grant No. G20240034). Q.W. acknowledges the financial support from the NSFC (Grant No. 22208292) and the “Pioneer” and “Leading Goose” R&D Program of Zhejiang (2025C04021). K.H.L. and Q.W. also acknowledge the Research Funds of the Institute of Zhejiang University-Quzhou (Nos. IZQ2022RCZX101, IZQ2021RCZX003, and IZQ2021RCZX002). M.H. acknowledges the funding from the Australian Research Council and the iLAuNCH Trailblazer, Department of Education, Australia. M.H. acknowledges the computational support from the National Computational Infrastructure (NCI), Australia and Pawsey Supercomputing Centre, Australia. The author also thanks Dr. Lijian Huang and Mr. Mincheng Yu at the Institute of Zhejiang University for the swift technical assistance during XPS characterization and quantification.","title":"Thiol-Amine complexes for the synthesis and surface engineering of SnTe nanomaterials toward high thermoelectric performance","page":"34395-34407","isi":1,"author":[{"full_name":"Meng, Weite","first_name":"Weite","last_name":"Meng"},{"last_name":"Xu","full_name":"Xu, Lixiang","first_name":"Lixiang"},{"full_name":"Lu, Shaoqing","first_name":"Shaoqing","last_name":"Lu"},{"full_name":"Li, Mingquan","first_name":"Mingquan","last_name":"Li"},{"last_name":"Li","full_name":"Li, Mengyao","first_name":"Mengyao"},{"first_name":"Yu","full_name":"Zhang, Yu","last_name":"Zhang"},{"first_name":"Qingyue","full_name":"Wang, Qingyue","last_name":"Wang"},{"last_name":"Wang","full_name":"Wang, Wen Jun","first_name":"Wen Jun"},{"first_name":"Siqi","full_name":"Huo, Siqi","last_name":"Huo"},{"last_name":"Bañares","first_name":"Miguel A.","full_name":"Bañares, Miguel A."},{"full_name":"Martin-Gonzalez, Marisol","first_name":"Marisol","last_name":"Martin-Gonzalez"},{"orcid":"0000-0001-5013-2843","last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","first_name":"Maria","full_name":"Ibáñez, Maria"},{"last_name":"Cabot","full_name":"Cabot, Andreu","first_name":"Andreu"},{"full_name":"Hong, Min","first_name":"Min","last_name":"Hong"},{"first_name":"Yu","full_name":"Liu, Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","last_name":"Liu","orcid":"0000-0001-7313-6740"},{"full_name":"Lim, Khak Ho","first_name":"Khak Ho","last_name":"Lim"}],"day":"30","pmid":1,"article_type":"original","OA_type":"closed access","quality_controlled":"1","volume":19,"fulldoi":"https://doi.org/10.1021/acsnano.5c12627","publication_status":"published","publication":"ACS Nano","status":"public","year":"2025","intvolume":"        19","type":"journal_article","issue":"38","date_created":"2025-10-05T22:01:35Z","date_published":"2025-09-30T00:00:00Z"},{"oa_version":"Published Version","month":"08","language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","scopus_import":"1","project":[{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"article_processing_charge":"Yes (via OA deal)","abstract":[{"lang":"eng","text":"Ag2Se is a promising n-type thermoelectric material, but its performance is limited by excessive carrier concentration, compositional inhomogeneity, and phase instability, challenges rooted in a narrow homogeneity range and uncontrolled Ag+ diffusion in the superionic phase. Here, we address these issues by exploiting liquid–solid interface reactions using CdSe complexes that remove surface excess Ag to yield stoichiometric Ag2Se and generate CdSe nanodomains that inhibit Ag+ diffusion and constrain grain growth. The resulting Ag2Se-CdSe nanocomposites exhibit a reproducible, stable figure of merit (zT) of 1.04 between 300 and 390 K. Beyond demonstrating high performance, we elucidate the interfacial chemical reactions that give rise to the observed microstructure and transport properties, providing a foundation for rationally engineering interfacial chemistry to tailor transport properties across diverse thermoelectric material systems."}],"publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]},"citation":{"ama":"Liu Y, Kleinhanns T, Horta S, et al. Liquid-solid interface reactions drive enhanced thermoelectric performance in Ag2Se. <i>Journal of the American Chemical Society</i>. 2025;147(35):32199-32208. doi:<a href=\"https://doi.org/10.1021/jacs.5c11435\">10.1021/jacs.5c11435</a>","chicago":"Liu, Yu, Tobias Kleinhanns, Sharona Horta, Ewelina Dutkiewicz, Shaoqing Lu, Maria Chiara Spadaro, Aziz Genç, et al. “Liquid-Solid Interface Reactions Drive Enhanced Thermoelectric Performance in Ag2Se.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2025. <a href=\"https://doi.org/10.1021/jacs.5c11435\">https://doi.org/10.1021/jacs.5c11435</a>.","short":"Y. Liu, T. Kleinhanns, S. Horta, E. Dutkiewicz, S. Lu, M.C. Spadaro, A. Genç, L. Chen, K.H. Lim, M. Hong, J. Arbiol, M. Ibáñez, Journal of the American Chemical Society 147 (2025) 32199–32208.","ista":"Liu Y, Kleinhanns T, Horta S, Dutkiewicz E, Lu S, Spadaro MC, Genç A, Chen L, Lim KH, Hong M, Arbiol J, Ibáñez M. 2025. Liquid-solid interface reactions drive enhanced thermoelectric performance in Ag2Se. Journal of the American Chemical Society. 147(35), 32199–32208.","ieee":"Y. Liu <i>et al.</i>, “Liquid-solid interface reactions drive enhanced thermoelectric performance in Ag2Se,” <i>Journal of the American Chemical Society</i>, vol. 147, no. 35. American Chemical Society, pp. 32199–32208, 2025.","apa":"Liu, Y., Kleinhanns, T., Horta, S., Dutkiewicz, E., Lu, S., Spadaro, M. C., … Ibáñez, M. (2025). Liquid-solid interface reactions drive enhanced thermoelectric performance in Ag2Se. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/jacs.5c11435\">https://doi.org/10.1021/jacs.5c11435</a>","mla":"Liu, Yu, et al. “Liquid-Solid Interface Reactions Drive Enhanced Thermoelectric Performance in Ag2Se.” <i>Journal of the American Chemical Society</i>, vol. 147, no. 35, American Chemical Society, 2025, pp. 32199–208, doi:<a href=\"https://doi.org/10.1021/jacs.5c11435\">10.1021/jacs.5c11435</a>."},"doi":"10.1021/jacs.5c11435","file_date_updated":"2025-09-10T06:55:17Z","corr_author":"1","department":[{"_id":"MaIb"},{"_id":"MassSpec"}],"has_accepted_license":"1","ddc":["540"],"date_updated":"2026-07-28T09:55:14Z","_id":"20326","publisher":"American Chemical Society","external_id":{"isi":["001558320100001"]},"acknowledgement":"M.I. acknowledges financial support from ISTA and the Werner Siemens Foundation. The Scientific Service Units (SSU) of ISTA supported this work through resources provided by the Electron Microscopy Facility (EMF), the Lab Support Facility (LSF) and the Nanofabrication Facility (NNF) and the LSF Mass Spectrometry Service. The members of the Ibáñez research group are acknowledged, especially Christine Fiedler for scientific illustration and Ihor Cherniukh for valuable discussions. Y.L. acknowledges funding from the National Natural Science Foundation of China (NSFC) (Grants No. 22209034), the Innovation and Entrepreneurship Project of Overseas Returnees in Anhui Province (Grant No. 2022LCX002) and the Fundamental Research Funds for the Central Universities (JZ2024HGTB0239). K.H.L. acknowledges financial support from the National Natural Science Foundation of China (NSFC) (Grant No. 22208293). ICN2 acknowledges funding from Generalitat de Catalunya 2021SGR00457. Authors acknowledge the Advanced Materials programme by the Spanish Government with funding from European Union NextGenerationEU (PRTR-C17.I1) and by Generalitat de Catalunya (Project In-CAEM). The authors thank support from the project AMaDE (PID2023-149158OB-C43), funded by MCIN/AEI/10.13039/501100011033/and by “ERDF Away of making Europe”, by the “European Union”. ICN2 is supported by the Severo Ochoa program from Spanish MCIN/AEI (Grant No.: CEX2021-001214-S) and is funded by the CERCA Programme/Generalitat de Catalunya. ICN2 is founding member of e-DREAM. (68) M.H. acknowledges the funding from the Australian Research Council (FT230100316 and IH200100035). M.H. acknowledges the computational support from the National Computational Infrastructure (NCI) and Pawsey Supercomputing Centre, Australia.","title":"Liquid-solid interface reactions drive enhanced thermoelectric performance in Ag2Se","OA_place":"publisher","page":"32199-32208","isi":1,"author":[{"orcid":"0000-0001-7313-6740","last_name":"Liu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","first_name":"Yu","full_name":"Liu, Yu"},{"last_name":"Kleinhanns","orcid":"0000-0003-1537-7436","id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425","full_name":"Kleinhanns, Tobias","first_name":"Tobias"},{"id":"03a7e858-01b1-11ec-8b71-99ae6c4a05bc","last_name":"Horta","full_name":"Horta, Sharona","first_name":"Sharona"},{"last_name":"Dutkiewicz","id":"0601cc46-c082-11ec-9b07-bb29641d1de9","full_name":"Dutkiewicz, Ewelina","first_name":"Ewelina"},{"first_name":"Shaoqing","full_name":"Lu, Shaoqing","last_name":"Lu"},{"first_name":"Maria Chiara","full_name":"Spadaro, Maria Chiara","last_name":"Spadaro"},{"full_name":"Genç, Aziz","first_name":"Aziz","last_name":"Genç"},{"last_name":"Chen","first_name":"Lei","full_name":"Chen, Lei"},{"full_name":"Lim, Khak Ho","first_name":"Khak Ho","last_name":"Lim"},{"full_name":"Hong, Min","first_name":"Min","last_name":"Hong"},{"first_name":"Jordi","full_name":"Arbiol, Jordi","last_name":"Arbiol"},{"last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","first_name":"Maria"}],"day":"22","acknowledged_ssus":[{"_id":"EM-Fac"},{"_id":"LifeSc"},{"_id":"NanoFab"},{"_id":"MassSpec"}],"article_type":"original","OA_type":"hybrid","file":[{"creator":"dernst","file_size":9997327,"success":1,"content_type":"application/pdf","file_id":"20334","relation":"main_file","date_updated":"2025-09-10T06:55:17Z","checksum":"52892fa91adadd39a1c42da9e01139a5","file_name":"2025_JACS_Liu.pdf","date_created":"2025-09-10T06:55:17Z","access_level":"open_access"}],"quality_controlled":"1","volume":147,"fulldoi":"https://doi.org/10.1021/jacs.5c11435","publication_status":"published","tmp":{"image":"/images/cc_by.png","short":"CC BY (4.0)","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode"},"publication":"Journal of the American Chemical Society","PlanS_conform":"1","year":"2025","status":"public","intvolume":"       147","related_material":{"record":[{"relation":"dissertation_contains","status":"public","id":"22017"}]},"type":"journal_article","issue":"35","date_created":"2025-09-10T05:44:03Z","date_published":"2025-08-22T00:00:00Z","oa":1},{"title":"Influence of surface engineering on the transport properties of lead sulfide nanomaterials","external_id":{"pmid":["39706089"],"isi":["001393340800001"]},"acknowledgement":"Y.L. acknowledges funding from the National Natural Science Foundation of China (NSFC) (Grants No. 22209034), the Innovation and Entrepreneurship Project of Overseas Returnees in Anhui Province (Grant No. 2022LCX002) and the Fundamental Research Funds for the Central Universities (JZ2024HGTB0239). M.I. acknowledges financial support from ISTA and the Werner Siemens Foundation. K.H.L. acknowledges financial support from the National Natural Science Foundation of China (NSFC) (Grant No. 22208293). M.H acknowledges funding from Australian Research Council (FT230100316 and IH200100035) and iLAuNCH, Trailblazer Universities Program. L. H. and S. W. acknowledge the Fundamental Research Funds for the Central Universities (JZ2023HGTA0179, JZ2024HGTA0170).","date_updated":"2026-10-16T09:22:32Z","publisher":"Elsevier","_id":"18707","department":[{"_id":"MaIb"}],"abstract":[{"lang":"eng","text":"Lead Sulfide (PbS) has garnered attention as a promising thermoelectric (TE) material due to its natural abundance and cost-effectiveness. However, its practical application is hindered by inherently high lattice thermal conductivity and low electrical conductivity. In this study, we address these challenges by surface functionalization of PbS nanocrystals using Cu2S molecular complexes-based ligand displacement. The molecular complexes facilitate the incorporation of Cu into the PbS matrix and leads to the formation of nanoscale defects, dislocations, and strain fields while optimizing the charge carrier transport. The structural modulations enhance the phonon scattering and lead to a significant reduction in lattice thermal conductivity of 0.60 W m−1K−1 at 867 K in the PbS-Cu2S system. Simultaneously, the Cu incorporation improves electrical conductivity by increasing both carrier concentration and mobility with carefully optimized the content of Cu2S molecular complexes. These synergistic modifications yield a peak figure-of-merit (zT) of 1.05 at 867 K for the PbS-1.0 %Cu2S sample, representing an almost twofold enhancement in TE performance compared to pristine PbS. This work highlights the effectiveness of surface treatment in overcoming the intrinsic limitations of PbS-based materials and presents a promising strategy for the development of high-efficiency TE systems."}],"publication_identifier":{"issn":["0021-9797"],"eissn":["1095-7103"]},"doi":"10.1016/j.jcis.2024.12.067","citation":{"mla":"Shu, Haibo, et al. “Influence of Surface Engineering on the Transport Properties of Lead Sulfide Nanomaterials.” <i>Journal of Colloid and Interface Science</i>, vol. 683, Elsevier, 2025, pp. 703–12, doi:<a href=\"https://doi.org/10.1016/j.jcis.2024.12.067\">10.1016/j.jcis.2024.12.067</a>.","apa":"Shu, H., Zhao, M., Lu, S., Wan, S., Genç, A., Huang, L., … Liu, Y. (2025). Influence of surface engineering on the transport properties of lead sulfide nanomaterials. <i>Journal of Colloid and Interface Science</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.jcis.2024.12.067\">https://doi.org/10.1016/j.jcis.2024.12.067</a>","ieee":"H. Shu <i>et al.</i>, “Influence of surface engineering on the transport properties of lead sulfide nanomaterials,” <i>Journal of Colloid and Interface Science</i>, vol. 683. Elsevier, pp. 703–712, 2025.","ista":"Shu H, Zhao M, Lu S, Wan S, Genç A, Huang L, Ibáñez M, Lim KH, Hong M, Liu Y. 2025. Influence of surface engineering on the transport properties of lead sulfide nanomaterials. Journal of Colloid and Interface Science. 683, 703–712.","chicago":"Shu, Haibo, Mingjun Zhao, Shaoqing Lu, Shanhong Wan, Aziz Genç, Lulu Huang, Maria Ibáñez, Khak Ho Lim, Min Hong, and Yu Liu. “Influence of Surface Engineering on the Transport Properties of Lead Sulfide Nanomaterials.” <i>Journal of Colloid and Interface Science</i>. Elsevier, 2025. <a href=\"https://doi.org/10.1016/j.jcis.2024.12.067\">https://doi.org/10.1016/j.jcis.2024.12.067</a>.","short":"H. Shu, M. Zhao, S. Lu, S. Wan, A. Genç, L. Huang, M. Ibáñez, K.H. Lim, M. Hong, Y. Liu, Journal of Colloid and Interface Science 683 (2025) 703–712.","ama":"Shu H, Zhao M, Lu S, et al. Influence of surface engineering on the transport properties of lead sulfide nanomaterials. <i>Journal of Colloid and Interface Science</i>. 2025;683:703-712. doi:<a href=\"https://doi.org/10.1016/j.jcis.2024.12.067\">10.1016/j.jcis.2024.12.067</a>"},"article_processing_charge":"No","dataavailabilitystatement":"Data will be made available on request.","project":[{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"scopus_import":"1","month":"04","language":[{"iso":"eng"}],"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","oa_version":"None","date_published":"2025-04-01T00:00:00Z","date_created":"2024-12-29T23:01:56Z","type":"journal_article","year":"2025","status":"public","researchdata_availability":"upon request","intvolume":"       683","publication":"Journal of Colloid and Interface Science","fulldoi":"https://doi.org/10.1016/j.jcis.2024.12.067","publication_status":"published","supplementarymaterial":"yes","volume":683,"quality_controlled":"1","pmid":1,"OA_type":"closed access","article_type":"original","day":"01","isi":1,"author":[{"last_name":"Shu","full_name":"Shu, Haibo","first_name":"Haibo"},{"last_name":"Zhao","full_name":"Zhao, Mingjun","first_name":"Mingjun"},{"full_name":"Lu, Shaoqing","first_name":"Shaoqing","last_name":"Lu"},{"last_name":"Wan","first_name":"Shanhong","full_name":"Wan, Shanhong"},{"first_name":"Aziz","full_name":"Genç, Aziz","last_name":"Genç"},{"first_name":"Lulu","full_name":"Huang, Lulu","last_name":"Huang"},{"first_name":"Maria","full_name":"Ibáñez, Maria","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87"},{"last_name":"Lim","full_name":"Lim, Khak Ho","first_name":"Khak Ho"},{"last_name":"Hong","full_name":"Hong, Min","first_name":"Min"},{"first_name":"Yu","full_name":"Liu, Yu","orcid":"0000-0001-7313-6740","last_name":"Liu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87"}],"page":"703-712","das_tickbox":"1"},{"publication":"Journal of Visualized Experiments","tmp":{"short":"CC BY-NC-ND (3.0)","image":"/images/cc_by_nc_nd.png","name":"Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported (CC BY-NC-ND 3.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc-nd/3.0/legalcode"},"publication_status":"published","fulldoi":"https://doi.org/10.3791/66278","oa":1,"date_published":"2024-05-01T00:00:00Z","date_created":"2024-06-09T22:01:02Z","issue":"207","type":"journal_article","related_material":{"record":[{"status":"public","id":"22626","relation":"dissertation_contains"}]},"intvolume":"      2024","status":"public","researchdata_availability":"no","year":"2024","acknowledged_ssus":[{"_id":"EM-Fac"},{"_id":"LifeSc"}],"day":"01","author":[{"first_name":"Christine","full_name":"Fiedler, Christine","id":"bd3fceba-dc74-11ea-a0a7-c17f71817366","last_name":"Fiedler"},{"id":"2A70014E-F248-11E8-B48F-1D18A9856A87","last_name":"Liu","orcid":"0000-0001-7313-6740","first_name":"Yu","full_name":"Liu, Yu"},{"last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-5013-2843","first_name":"Maria","full_name":"Ibáñez, Maria"}],"isi":1,"das_tickbox":"0","license":"https://creativecommons.org/licenses/by-nc-nd/3.0/","OA_place":"publisher","volume":2024,"supplementarymaterial":"no","quality_controlled":"1","file":[{"date_created":"2025-02-17T15:08:55Z","access_level":"open_access","file_name":"2024_JoVE_Fiedler.pdf","date_updated":"2025-02-17T15:08:55Z","relation":"main_file","checksum":"ddb41f1ce2333484ab5cd109ac2941c0","content_type":"application/pdf","file_id":"19047","success":1,"file_size":1371995,"creator":"dernst"}],"OA_type":"hybrid","article_type":"original","pmid":1,"has_accepted_license":"1","department":[{"_id":"MaIb"}],"corr_author":"1","file_date_updated":"2025-02-17T15:08:55Z","citation":{"mla":"Fiedler, Christine, et al. “Solution-Processed, Surface-Engineered, Polycrystalline CdSe-SnSe Exhibiting Low Thermal Conductivity.” <i>Journal of Visualized Experiments</i>, vol. 2024, no. 207, e66278, MyJove Corporation, 2024, doi:<a href=\"https://doi.org/10.3791/66278\">10.3791/66278</a>.","apa":"Fiedler, C., Liu, Y., &#38; Ibáñez, M. (2024). Solution-processed, surface-engineered, polycrystalline CdSe-SnSe exhibiting low thermal conductivity. <i>Journal of Visualized Experiments</i>. MyJove Corporation. <a href=\"https://doi.org/10.3791/66278\">https://doi.org/10.3791/66278</a>","ieee":"C. Fiedler, Y. Liu, and M. Ibáñez, “Solution-processed, surface-engineered, polycrystalline CdSe-SnSe exhibiting low thermal conductivity,” <i>Journal of Visualized Experiments</i>, vol. 2024, no. 207. MyJove Corporation, 2024.","ista":"Fiedler C, Liu Y, Ibáñez M. 2024. Solution-processed, surface-engineered, polycrystalline CdSe-SnSe exhibiting low thermal conductivity. Journal of Visualized Experiments. 2024(207), e66278.","short":"C. Fiedler, Y. Liu, M. Ibáñez, Journal of Visualized Experiments 2024 (2024).","chicago":"Fiedler, Christine, Yu Liu, and Maria Ibáñez. “Solution-Processed, Surface-Engineered, Polycrystalline CdSe-SnSe Exhibiting Low Thermal Conductivity.” <i>Journal of Visualized Experiments</i>. MyJove Corporation, 2024. <a href=\"https://doi.org/10.3791/66278\">https://doi.org/10.3791/66278</a>.","ama":"Fiedler C, Liu Y, Ibáñez M. Solution-processed, surface-engineered, polycrystalline CdSe-SnSe exhibiting low thermal conductivity. <i>Journal of Visualized Experiments</i>. 2024;2024(207). doi:<a href=\"https://doi.org/10.3791/66278\">10.3791/66278</a>"},"doi":"10.3791/66278","abstract":[{"lang":"eng","text":"In recent years, solution processes have gained considerable traction as a cost-effective and scalable method to produce high-performance thermoelectric materials. The process entails a series of critical steps: synthesis, purification, thermal treatments, and consolidation, each playing a pivotal role in determining performance, stability, and reproducibility. We have noticed a need for more comprehensive details for each of the described steps in most published works. Recognizing the significance of detailed synthetic protocols, we describe here the approach used to synthesize and characterize one of the highest-performing polycrystalline p-type SnSe. In particular, we report the synthesis of SnSe particles in water and the subsequent surface treatment with CdSe molecular complexes that yields CdSe-SnSe nanocomposites upon consolidation. Moreover, the surface treatment inhibits grain growth through Zenner pinning of secondary phase CdSe nanoparticles and enhances defect formation at different length scales. The enhanced complexity in the CdSe-SnSe nanocomposite microstructure with respect to SnSe promotes phonon scattering and thereby significantly reduces the thermal conductivity. Such surface engineering provides opportunities in solution processing for introducing and controlling defects, making it possible to optimize the transport properties and attain a high thermoelectric figure of merit."}],"publication_identifier":{"issn":["1940-087X"]},"article_processing_charge":"Yes (in subscription journal)","title":"Solution-processed, surface-engineered, polycrystalline CdSe-SnSe exhibiting low thermal conductivity","acknowledgement":"The Scientific Service Units (SSU) of ISTA supported this research through resources provided by the Electron Microscopy Facility (EMF) and the Lab Support Facility (LSF). This work was financially supported by the Institute of Science and Technology Austria and the Werner Siemens Foundation.","external_id":{"pmid":["38829127"],"isi":["001281657200005"]},"APC_amount":"4394,84 EUR","_id":"17124","publisher":"MyJove Corporation","ddc":["530"],"date_updated":"2026-10-16T09:18:16Z","scopus_import":"1","language":[{"iso":"eng"}],"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","month":"05","oa_version":"Published Version","article_number":"e66278","project":[{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}]},{"title":"Unveiling crucial chemical processing parameters influencing the performance of solution-processed inorganic thermoelectric materials","external_id":{"isi":["001223768400001"],"pmid":["38623865"]},"acknowledgement":"ISTA and the Werner Siemens Foundation financially supported this work. The Scientific Service Units (SSU) of ISTA supported this research through resources provided by the Electron Microscopy Facility (EMF), NMR Facility and the Lab Support Facility (LSF). Dr. Krishnendu Maji at ISTA aided in this work through XRD analysis of the crystal phase of SnSe. Y.L. acknowledges funding from the European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411, the National Natural Science Foundation of China (NSFC) (Grants No. 22209034). M.C. received funding from the European Union's Horizon 2020 research and innovation program under the Marie Skłodowska-Curie Grant Agreement No. 665385.","date_updated":"2026-10-16T09:30:27Z","ddc":["540"],"publisher":"Wiley","_id":"17052","department":[{"_id":"MaIb"}],"has_accepted_license":"1","corr_author":"1","publication_identifier":{"eissn":["1521-3773"],"issn":["1433-7851"]},"abstract":[{"text":"Production of thermoelectric materials from solution-processed particles involves the synthesis of particles, their purification and densification into pelletized material. Chemical changes that occur during each one of these steps render them performance determining. Particularly the purification steps, bypassed in conventional solid-state synthesis, are the cause for large discrepancies among similar solution-processed materials. In present work, the investigation focuses on a water-based surfactant free solution synthesis of SnSe, a highly relevant thermoelectric material. We show and rationalize that the number of leaching steps, purification solvent, annealing, and annealing atmosphere have significant influence on the Sn : Se ratio and impurity content in the powder. Such compositional changes that are undetectable by conventional characterization techniques lead to distinct consolidated materials with different types and concentration of defects. Additionally, the profound effect on their transport properties is demonstrated. We emphasize that understanding the chemistry and identifying key chemical species and their role throughout the process is paramount for optimizing material performance. Furthermore, we aim to demonstrate the necessity of comprehensive reporting of these steps as a standard practice to ensure material reproducibility.","lang":"eng"}],"citation":{"ama":"Fiedler C, Calcabrini M, Liu Y, Ibáñez M. Unveiling crucial chemical processing parameters influencing the performance of solution-processed inorganic thermoelectric materials. <i>Angewandte Chemie International Edition</i>. 2024;63(25). doi:<a href=\"https://doi.org/10.1002/anie.202402628\">10.1002/anie.202402628</a>","short":"C. Fiedler, M. Calcabrini, Y. Liu, M. Ibáñez, Angewandte Chemie International Edition 63 (2024).","chicago":"Fiedler, Christine, Mariano Calcabrini, Yu Liu, and Maria Ibáñez. “Unveiling Crucial Chemical Processing Parameters Influencing the Performance of Solution-Processed Inorganic Thermoelectric Materials.” <i>Angewandte Chemie International Edition</i>. Wiley, 2024. <a href=\"https://doi.org/10.1002/anie.202402628\">https://doi.org/10.1002/anie.202402628</a>.","ista":"Fiedler C, Calcabrini M, Liu Y, Ibáñez M. 2024. Unveiling crucial chemical processing parameters influencing the performance of solution-processed inorganic thermoelectric materials. Angewandte Chemie International Edition. 63(25), e202402628.","ieee":"C. Fiedler, M. Calcabrini, Y. Liu, and M. Ibáñez, “Unveiling crucial chemical processing parameters influencing the performance of solution-processed inorganic thermoelectric materials,” <i>Angewandte Chemie International Edition</i>, vol. 63, no. 25. Wiley, 2024.","apa":"Fiedler, C., Calcabrini, M., Liu, Y., &#38; Ibáñez, M. (2024). Unveiling crucial chemical processing parameters influencing the performance of solution-processed inorganic thermoelectric materials. <i>Angewandte Chemie International Edition</i>. Wiley. <a href=\"https://doi.org/10.1002/anie.202402628\">https://doi.org/10.1002/anie.202402628</a>","mla":"Fiedler, Christine, et al. “Unveiling Crucial Chemical Processing Parameters Influencing the Performance of Solution-Processed Inorganic Thermoelectric Materials.” <i>Angewandte Chemie International Edition</i>, vol. 63, no. 25, e202402628, Wiley, 2024, doi:<a href=\"https://doi.org/10.1002/anie.202402628\">10.1002/anie.202402628</a>."},"file_date_updated":"2025-01-09T09:12:07Z","doi":"10.1002/anie.202402628","article_processing_charge":"Yes (via OA deal)","dataavailabilitystatement":"The data that support the findings of this study are available from the corresponding author upon reasonable request.","article_number":"e202402628","project":[{"grant_number":"754411","name":"ISTplus - Postdoctoral Fellowships","_id":"260C2330-B435-11E9-9278-68D0E5697425","call_identifier":"H2020"},{"call_identifier":"H2020","_id":"2564DBCA-B435-11E9-9278-68D0E5697425","name":"International IST Doctoral Program","grant_number":"665385"},{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"scopus_import":"1","language":[{"iso":"eng"}],"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","month":"06","oa_version":"Published Version","date_published":"2024-06-17T00:00:00Z","oa":1,"date_created":"2024-05-26T22:00:58Z","type":"journal_article","issue":"25","status":"public","researchdata_availability":"upon request","year":"2024","intvolume":"        63","related_material":{"record":[{"id":"22626","status":"public","relation":"dissertation_contains"}]},"tmp":{"image":"/images/cc_by_nc_nd.png","short":"CC BY-NC-ND (4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode","name":"Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)"},"publication":"Angewandte Chemie International Edition","fulldoi":"https://doi.org/10.1002/anie.202402628","publication_status":"published","supplementarymaterial":"yes","volume":63,"file":[{"date_updated":"2025-01-09T09:12:07Z","relation":"main_file","checksum":"1572a0f4d2df55751761efeb2d11c7fc","date_created":"2025-01-09T09:12:07Z","access_level":"open_access","file_name":"2024_AngewChemieIntern_Fiedler.pdf","file_size":16347226,"creator":"dernst","content_type":"application/pdf","file_id":"18797","success":1}],"quality_controlled":"1","pmid":1,"OA_type":"hybrid","article_type":"original","day":"17","acknowledged_ssus":[{"_id":"EM-Fac"},{"_id":"NMR"},{"_id":"LifeSc"}],"isi":1,"author":[{"first_name":"Christine","full_name":"Fiedler, Christine","id":"bd3fceba-dc74-11ea-a0a7-c17f71817366","last_name":"Fiedler"},{"orcid":"0000-0003-4566-5877","last_name":"Calcabrini","id":"45D7531A-F248-11E8-B48F-1D18A9856A87","first_name":"Mariano","full_name":"Calcabrini, Mariano"},{"orcid":"0000-0001-7313-6740","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","last_name":"Liu","first_name":"Yu","full_name":"Liu, Yu"},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","first_name":"Maria"}],"das_tickbox":"1","OA_place":"publisher","ec_funded":1},{"quality_controlled":"1","article_type":"original","OA_type":"closed access","pmid":1,"volume":8,"supplementarymaterial":"yes","das_tickbox":"1","day":"01","author":[{"first_name":"Shanhong","full_name":"Wan, Shanhong","last_name":"Wan"},{"last_name":"Xiao","first_name":"Shanshan","full_name":"Xiao, Shanshan"},{"full_name":"Li, Mingquan","first_name":"Mingquan","last_name":"Li"},{"first_name":"Xin","full_name":"Wang, Xin","last_name":"Wang"},{"first_name":"Khak Ho","full_name":"Lim, Khak Ho","last_name":"Lim"},{"last_name":"Hong","full_name":"Hong, Min","first_name":"Min"},{"full_name":"Ibáñez, Maria","first_name":"Maria","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","id":"43C61214-F248-11E8-B48F-1D18A9856A87"},{"full_name":"Cabot, Andreu","first_name":"Andreu","last_name":"Cabot"},{"full_name":"Liu, Yu","first_name":"Yu","orcid":"0000-0001-7313-6740","last_name":"Liu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87"}],"isi":1,"issue":"8","type":"journal_article","intvolume":"         8","year":"2024","researchdata_availability":"yes (supplementary data)","status":"public","date_published":"2024-08-01T00:00:00Z","date_created":"2024-01-07T23:00:51Z","publication":"Small Methods","publication_status":"published","fulldoi":"https://doi.org/10.1002/smtd.202301377","project":[{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"article_number":"2301377","dataavailabilitystatement":"The data that support the findings of this study are available in the supplementary material of this article.  Support","oa_version":"None","scopus_import":"1","language":[{"iso":"eng"}],"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","month":"08","acknowledgement":"Y.L. acknowledges funding from the National Natural Science Foundation of China (NSFC) (Grants No. 22209034), the Innovation and Entrepreneurship Project of Overseas Returnees in Anhui Province (Grant No. 2022LCX002). K.H.L. acknowledges financial support from the National Natural Science Foundation of China (NSFC) (Grant No. 22208293). M.I. acknowledges financial support from ISTA and the Werner Siemens Foundation.","external_id":{"pmid":["38152986"],"isi":["001133369800001"]},"publisher":"Wiley","_id":"14734","date_updated":"2026-10-16T09:29:55Z","title":"Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4","citation":{"ama":"Wan S, Xiao S, Li M, et al. Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4. <i>Small Methods</i>. 2024;8(8). doi:<a href=\"https://doi.org/10.1002/smtd.202301377\">10.1002/smtd.202301377</a>","chicago":"Wan, Shanhong, Shanshan Xiao, Mingquan Li, Xin Wang, Khak Ho Lim, Min Hong, Maria Ibáñez, Andreu Cabot, and Yu Liu. “Band Engineering through Pb-Doping of Nanocrystal Building Blocks to Enhance Thermoelectric Performance in Cu3SbSe4.” <i>Small Methods</i>. Wiley, 2024. <a href=\"https://doi.org/10.1002/smtd.202301377\">https://doi.org/10.1002/smtd.202301377</a>.","short":"S. Wan, S. Xiao, M. Li, X. Wang, K.H. Lim, M. Hong, M. Ibáñez, A. Cabot, Y. Liu, Small Methods 8 (2024).","ista":"Wan S, Xiao S, Li M, Wang X, Lim KH, Hong M, Ibáñez M, Cabot A, Liu Y. 2024. Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4. Small Methods. 8(8), 2301377.","ieee":"S. Wan <i>et al.</i>, “Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4,” <i>Small Methods</i>, vol. 8, no. 8. Wiley, 2024.","apa":"Wan, S., Xiao, S., Li, M., Wang, X., Lim, K. H., Hong, M., … Liu, Y. (2024). Band engineering through Pb-doping of nanocrystal building blocks to enhance thermoelectric performance in Cu3SbSe4. <i>Small Methods</i>. Wiley. <a href=\"https://doi.org/10.1002/smtd.202301377\">https://doi.org/10.1002/smtd.202301377</a>","mla":"Wan, Shanhong, et al. “Band Engineering through Pb-Doping of Nanocrystal Building Blocks to Enhance Thermoelectric Performance in Cu3SbSe4.” <i>Small Methods</i>, vol. 8, no. 8, 2301377, Wiley, 2024, doi:<a href=\"https://doi.org/10.1002/smtd.202301377\">10.1002/smtd.202301377</a>."},"doi":"10.1002/smtd.202301377","publication_identifier":{"eissn":["2366-9608"]},"abstract":[{"lang":"eng","text":"Developing cost-effective and high-performance thermoelectric (TE) materials to assemble efficient TE devices presents a multitude of challenges and opportunities. Cu3SbSe4 is a promising p-type TE material based on relatively earth abundant elements. However, the challenge lies in its poor electrical conductivity. Herein, an efficient and scalable solution-based approach is developed to synthesize high-quality Cu3SbSe4 nanocrystals doped with Pb at the Sb site. After ligand displacement and annealing treatments, the dried powders are consolidated into dense pellets, and their TE properties are investigated. Pb doping effectively increases the charge carrier concentration, resulting in a significant increase in electrical conductivity, while the Seebeck coefficients remain consistently high. The calculated band structure shows that Pb doping induces band convergence, thereby increasing the effective mass. Furthermore, the large ionic radius of Pb2+ results in the generation of additional point and plane defects and interphases, dramatically enhancing phonon scattering, which significantly decreases the lattice thermal conductivity at high temperatures. Overall, a maximum figure of merit (zTmax) ≈ 0.85 at 653 K is obtained in Cu3Sb0.97Pb0.03Se4. This represents a 1.6-fold increase compared to the undoped sample and exceeds most doped Cu3SbSe4-based materials produced by solid-state, demonstrating advantages of versatility and cost-effectiveness using a solution-based technology."}],"article_processing_charge":"No","department":[{"_id":"MaIb"}]},{"fulldoi":"https://doi.org/10.1016/j.cej.2024.151405","publication_status":"published","tmp":{"image":"/images/cc_by.png","short":"CC BY (4.0)","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode"},"publication":"Chemical Engineering Journal","date_created":"2024-05-05T22:01:03Z","date_published":"2024-06-15T00:00:00Z","oa":1,"year":"2024","researchdata_availability":"upon request","status":"public","related_material":{"record":[{"status":"public","id":"20415","relation":"dissertation_contains"}]},"intvolume":"       490","type":"journal_article","isi":1,"author":[{"last_name":"Liu","orcid":"0000-0001-7313-6740","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","full_name":"Liu, Yu","first_name":"Yu"},{"full_name":"Lee, Seungho","first_name":"Seungho","last_name":"Lee","orcid":"0000-0002-6962-8598","id":"BB243B88-D767-11E9-B658-BC13E6697425"},{"first_name":"Christine","full_name":"Fiedler, Christine","id":"bd3fceba-dc74-11ea-a0a7-c17f71817366","last_name":"Fiedler"},{"last_name":" Spadaro","first_name":"Maria Chiara","full_name":" Spadaro, Maria Chiara"},{"orcid":"0000-0002-9515-4277","last_name":"Chang","id":"9E331C2E-9F27-11E9-AE48-5033E6697425","first_name":"Cheng","full_name":"Chang, Cheng"},{"last_name":"Li","first_name":"Mingquan","full_name":"Li, Mingquan"},{"full_name":"Hong, Min","first_name":"Min","last_name":"Hong"},{"full_name":"Arbiol, Jordi","first_name":"Jordi","last_name":"Arbiol"},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","first_name":"Maria"}],"day":"15","acknowledged_ssus":[{"_id":"EM-Fac"},{"_id":"NMR"},{"_id":"LifeSc"}],"OA_place":"publisher","das_tickbox":"1","supplementarymaterial":"yes","volume":490,"article_type":"original","OA_type":"hybrid","file":[{"creator":"dernst","file_size":12233704,"success":1,"file_id":"18800","content_type":"application/pdf","checksum":"6609232a208b9a89d055a270ef0af1fe","date_updated":"2025-01-09T09:24:29Z","relation":"main_file","file_name":"2024_ChemEngineeringJour_Liu.pdf","access_level":"open_access","date_created":"2025-01-09T09:24:29Z"}],"quality_controlled":"1","corr_author":"1","department":[{"_id":"MaIb"}],"has_accepted_license":"1","article_processing_charge":"Yes (via OA deal)","abstract":[{"text":"There is a growing interest in cost-effective polycrystalline SnSe-based thermoelectric (TE) materials, which are able to replace the high performance but mechanically fragile and costly single-crystalline SnSe. In this study, we present a low-temperature solution-based approach to produce SnSe-PbSe nanocomposites with outstanding TE performance. Our method involves combining surfactant-free SnSe particles with oleate-capped PbSe nanocrystals in specific ratios, followed by thermal annealing and consolidation using spark plasma sintering. These nanocomposites are characterized by distinct compositional and structural properties that significantly impact their transport properties. In particular, the addition of oleate-capped PbSe nanocrystals results in: i) a reduction in the electrostatically adsorbed Na at the surface of the SnSe particles; ii) a reduction of Sn vacancies due to alloying with Pb; iii) an increase in grain boundary density; and iv) the formation of PbSnSe secondary phases. Notably, the SnSe-2.5 %PbSe nanocomposites demonstrate a 30 % decrease in thermal conductivity compared to that of the SnSe matrix. This reduction contributes to a maximum figure of merit (zT) of 1.75 at 788 K with a high average zT value of ca. 1.2 in the medium temperature range of 573–773 K. These values represent one of the highest reported in polycrystalline SnSe materials, showcasing the potential of our fabricated SnSe-PbSe nanocomposites for cost-effective TE applications.","lang":"eng"}],"publication_identifier":{"issn":["1385-8947"]},"citation":{"apa":"Liu, Y., Lee, S., Fiedler, C.,  Spadaro, M. C., Chang, C., Li, M., … Ibáñez, M. (2024). Enhancing thermoelectric performance of solutionpProcessed polycrystalline SnSe with PbSe nanocrystals. <i>Chemical Engineering Journal</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.cej.2024.151405\">https://doi.org/10.1016/j.cej.2024.151405</a>","mla":"Liu, Yu, et al. “Enhancing Thermoelectric Performance of SolutionpProcessed Polycrystalline SnSe with PbSe Nanocrystals.” <i>Chemical Engineering Journal</i>, vol. 490, 151405, Elsevier, 2024, doi:<a href=\"https://doi.org/10.1016/j.cej.2024.151405\">10.1016/j.cej.2024.151405</a>.","ama":"Liu Y, Lee S, Fiedler C, et al. Enhancing thermoelectric performance of solutionpProcessed polycrystalline SnSe with PbSe nanocrystals. <i>Chemical Engineering Journal</i>. 2024;490. doi:<a href=\"https://doi.org/10.1016/j.cej.2024.151405\">10.1016/j.cej.2024.151405</a>","short":"Y. Liu, S. Lee, C. Fiedler, M.C.  Spadaro, C. Chang, M. Li, M. Hong, J. Arbiol, M. Ibáñez, Chemical Engineering Journal 490 (2024).","chicago":"Liu, Yu, Seungho Lee, Christine Fiedler, Maria Chiara  Spadaro, Cheng Chang, Mingquan Li, Min Hong, Jordi Arbiol, and Maria Ibáñez. “Enhancing Thermoelectric Performance of SolutionpProcessed Polycrystalline SnSe with PbSe Nanocrystals.” <i>Chemical Engineering Journal</i>. Elsevier, 2024. <a href=\"https://doi.org/10.1016/j.cej.2024.151405\">https://doi.org/10.1016/j.cej.2024.151405</a>.","ista":"Liu Y, Lee S, Fiedler C,  Spadaro MC, Chang C, Li M, Hong M, Arbiol J, Ibáñez M. 2024. Enhancing thermoelectric performance of solutionpProcessed polycrystalline SnSe with PbSe nanocrystals. Chemical Engineering Journal. 490, 151405.","ieee":"Y. Liu <i>et al.</i>, “Enhancing thermoelectric performance of solutionpProcessed polycrystalline SnSe with PbSe nanocrystals,” <i>Chemical Engineering Journal</i>, vol. 490. Elsevier, 2024."},"file_date_updated":"2025-01-09T09:24:29Z","doi":"10.1016/j.cej.2024.151405","title":"Enhancing thermoelectric performance of solutionpProcessed polycrystalline SnSe with PbSe nanocrystals","ddc":["540"],"date_updated":"2026-10-23T22:31:35Z","_id":"15357","publisher":"Elsevier","external_id":{"isi":["001234835500001"]},"acknowledgement":"The Scientific Service Units (SSU) of ISTA supported this research through resources provided by the Electron Microscopy Facility (EMF), NMR Facility, and the Lab Support Facility (LSF). Y.L., S.L., C.F., C.C. and M.I. acknowledge financial support from ISTA and the Werner Siemens Foundation. Y.L. acknowledges funding from the National Natural Science Foundation of China (NSFC) (Grants No. 22209034), the Innovation and Entrepreneurship Project of Overseas Returnees in Anhui Province (Grant No. 2022LCX002). C.C. acknowledges funding from the National Natural Science Foundation of China (NSFC) (Grants No. 12374023). ICN2 acknowledges funding from Generalitat de Catalunya 2021SGR00457. The authors thank support from the project NANOGEN(PID2020-116093RB-C43), funded by MCIN/ AEI/10.13039/501100011033/ and by “ERDF Away of making Europe”, by the “European Union”. ICN2 is supported by the Severo Ochoaprogram from Spanish MCIN / AEI (Grant No.: CEX2021-001214-S) and is funded by the CERCA Programme / Generalitat de Catalunya. ICN2 is founding member of e-DREAM [70].","language":[{"iso":"eng"}],"month":"06","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","scopus_import":"1","oa_version":"Published Version","dataavailabilitystatement":"Data will be made available on request.","article_number":"151405","project":[{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}]},{"acknowledgement":"The authors acknowledge support from the projects ENE2016-77798-C4-3-R and NANOGEN (PID2020-116093RB-C43) funded by MCIN/AEI/10.13039/501100011033/and by “ERDF A way of making Europe”, and by the “European Union”. K.X. and B.N. thank the China Scholarship Council (CSC) for scholarship support. The authors acknowledge funding from Generalitat de Catalunya 2017 SGR 327 and 2017 SGR 1246. ICN2 is supported by the Severo Ochoa program from the Spanish MCIN/AEI (Grant No.: CEX2021-001214-S). IREC and ICN2 are funded by the CERCA Programme/Generalitat de Catalunya. J.L. acknowledges support from the Natural Science Foundation of Sichuan province (2022NSFSC1229). Part of the present work was performed in the frameworks of Universitat de Barcelona Nanoscience Ph.D. program and Universitat Autònoma de Barcelona Materials Science Ph.D. program. Y.L. acknowledges funding from the National Natural Science Foundation of China (Grant No. 22209034) and the Innovation and Entrepreneurship Project of Overseas Returnees in Anhui Province (Grants No. 2022LCX002). K.H.L. acknowledges the financial support of the National Natural Science Foundation of China (Grant No. 22208293).","external_id":{"isi":["000976063200001"],"pmid":["37071412"]},"publisher":"American Chemical Society","_id":"12915","date_updated":"2025-06-25T06:01:54Z","title":"Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites","citation":{"ista":"Xing C, Zhang Y, Xiao K, Han X, Liu Y, Nan B, Ramon MG, Lim KH, Li J, Arbiol J, Poudel B, Nozariasbmarz A, Li W, Ibáñez M, Cabot A. 2023. Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites. ACS Nano. 17(9), 8442–8452.","ieee":"C. Xing <i>et al.</i>, “Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites,” <i>ACS Nano</i>, vol. 17, no. 9. American Chemical Society, pp. 8442–8452, 2023.","ama":"Xing C, Zhang Y, Xiao K, et al. Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites. <i>ACS Nano</i>. 2023;17(9):8442-8452. doi:<a href=\"https://doi.org/10.1021/acsnano.3c00495\">10.1021/acsnano.3c00495</a>","short":"C. Xing, Y. Zhang, K. Xiao, X. Han, Y. Liu, B. Nan, M.G. Ramon, K.H. Lim, J. Li, J. Arbiol, B. Poudel, A. Nozariasbmarz, W. Li, M. Ibáñez, A. Cabot, ACS Nano 17 (2023) 8442–8452.","chicago":"Xing, Congcong, Yu Zhang, Ke Xiao, Xu Han, Yu Liu, Bingfei Nan, Maria Garcia Ramon, et al. “Thermoelectric Performance of Surface-Engineered Cu1.5–XTe–Cu2Se Nanocomposites.” <i>ACS Nano</i>. American Chemical Society, 2023. <a href=\"https://doi.org/10.1021/acsnano.3c00495\">https://doi.org/10.1021/acsnano.3c00495</a>.","apa":"Xing, C., Zhang, Y., Xiao, K., Han, X., Liu, Y., Nan, B., … Cabot, A. (2023). Thermoelectric performance of surface-engineered Cu1.5–xTe–Cu2Se nanocomposites. <i>ACS Nano</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsnano.3c00495\">https://doi.org/10.1021/acsnano.3c00495</a>","mla":"Xing, Congcong, et al. “Thermoelectric Performance of Surface-Engineered Cu1.5–XTe–Cu2Se Nanocomposites.” <i>ACS Nano</i>, vol. 17, no. 9, American Chemical Society, 2023, pp. 8442–52, doi:<a href=\"https://doi.org/10.1021/acsnano.3c00495\">10.1021/acsnano.3c00495</a>."},"doi":"10.1021/acsnano.3c00495","abstract":[{"text":"Cu2–xS and Cu2–xSe have recently been reported as promising thermoelectric (TE) materials for medium-temperature applications. In contrast, Cu2–xTe, another member of the copper chalcogenide family, typically exhibits low Seebeck coefficients that limit its potential to achieve a superior thermoelectric figure of merit, zT, particularly in the low-temperature range where this material could be effective. To address this, we investigated the TE performance of Cu1.5–xTe–Cu2Se nanocomposites by consolidating surface-engineered Cu1.5Te nanocrystals. This surface engineering strategy allows for precise adjustment of Cu/Te ratios and results in a reversible phase transition at around 600 K in Cu1.5–xTe–Cu2Se nanocomposites, as systematically confirmed by in situ high-temperature X-ray diffraction combined with differential scanning calorimetry analysis. The phase transition leads to a conversion from metallic-like to semiconducting-like TE properties. Additionally, a layer of Cu2Se generated around Cu1.5–xTe nanoparticles effectively inhibits Cu1.5–xTe grain growth, minimizing thermal conductivity and decreasing hole concentration. These properties indicate that copper telluride based compounds have a promising thermoelectric potential, translated into a high dimensionless zT of 1.3 at 560 K.","lang":"eng"}],"publication_identifier":{"issn":["1936-0851"],"eissn":["1936-086X"]},"article_processing_charge":"No","department":[{"_id":"MaIb"}],"corr_author":"1","oa_version":"Submitted Version","main_file_link":[{"open_access":"1","url":"https://ddd.uab.cat/pub/artpub/2023/zlnqprw07rek/acsnan_a2023_Pre.pdf"}],"scopus_import":"1","language":[{"iso":"eng"}],"month":"05","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","issue":"9","type":"journal_article","intvolume":"        17","status":"public","year":"2023","oa":1,"date_published":"2023-05-09T00:00:00Z","date_created":"2023-05-07T22:01:04Z","publication":"ACS Nano","publication_status":"published","fulldoi":"https://doi.org/10.1021/acsnano.3c00495","quality_controlled":"1","article_type":"original","OA_type":"green","pmid":1,"volume":17,"page":"8442-8452","OA_place":"repository","day":"09","author":[{"last_name":"Xing","full_name":"Xing, Congcong","first_name":"Congcong"},{"last_name":"Zhang","full_name":"Zhang, Yu","first_name":"Yu"},{"first_name":"Ke","full_name":"Xiao, Ke","last_name":"Xiao"},{"full_name":"Han, Xu","first_name":"Xu","last_name":"Han"},{"first_name":"Yu","full_name":"Liu, Yu","orcid":"0000-0001-7313-6740","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","last_name":"Liu"},{"full_name":"Nan, Bingfei","first_name":"Bingfei","last_name":"Nan"},{"first_name":"Maria Garcia","full_name":"Ramon, Maria Garcia","id":"1ffff7cd-ed76-11ed-8d5f-be5e7c364eb9","last_name":"Ramon"},{"last_name":"Lim","full_name":"Lim, Khak Ho","first_name":"Khak Ho"},{"first_name":"Junshan","full_name":"Li, Junshan","last_name":"Li"},{"last_name":"Arbiol","full_name":"Arbiol, Jordi","first_name":"Jordi"},{"last_name":"Poudel","first_name":"Bed","full_name":"Poudel, Bed"},{"last_name":"Nozariasbmarz","full_name":"Nozariasbmarz, Amin","first_name":"Amin"},{"first_name":"Wenjie","full_name":"Li, Wenjie","last_name":"Li"},{"last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-5013-2843","full_name":"Ibáñez, Maria","first_name":"Maria"},{"last_name":"Cabot","full_name":"Cabot, Andreu","first_name":"Andreu"}],"isi":1},{"article_type":"original","pmid":1,"quality_controlled":"1","volume":17,"page":"11923–11934","author":[{"id":"2A70014E-F248-11E8-B48F-1D18A9856A87","last_name":"Liu","orcid":"0000-0001-7313-6740","first_name":"Yu","full_name":"Liu, Yu"},{"last_name":"Li","first_name":"Mingquan","full_name":"Li, Mingquan"},{"first_name":"Shanhong","full_name":"Wan, Shanhong","last_name":"Wan"},{"last_name":"Lim","full_name":"Lim, Khak Ho","first_name":"Khak Ho"},{"last_name":"Zhang","full_name":"Zhang, Yu","first_name":"Yu"},{"full_name":"Li, Mengyao","first_name":"Mengyao","last_name":"Li"},{"last_name":"Li","full_name":"Li, Junshan","first_name":"Junshan"},{"first_name":"Maria","full_name":"Ibáñez, Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-5013-2843","last_name":"Ibáñez"},{"last_name":"Hong","first_name":"Min","full_name":"Hong, Min"},{"first_name":"Andreu","full_name":"Cabot, Andreu","last_name":"Cabot"}],"isi":1,"day":"13","intvolume":"        17","year":"2023","status":"public","issue":"12","type":"journal_article","date_created":"2023-07-16T22:01:11Z","date_published":"2023-06-13T00:00:00Z","publication_status":"published","fulldoi":"https://doi.org/10.1021/acsnano.3c03541","publication":"ACS Nano","project":[{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"oa_version":"None","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","language":[{"iso":"eng"}],"month":"06","scopus_import":"1","_id":"13235","publisher":"American Chemical Society","date_updated":"2025-04-15T06:36:40Z","acknowledgement":"Y.L. acknowledges funding from the National Natural Science Foundation of China (NSFC) (Grants No. 22209034), the Innovation and Entrepreneurship Project of Overseas Returnees in Anhui Province (Grant No. 2022LCX002). K.H.L. acknowledges financial support from the National Natural Science Foundation of China (Grant No. 22208293). Y.Z. acknowledges support from the SBIR program NanoOhmics. J.L. is grateful for the project supported by the Natural Science Foundation of Sichuan (2022NSFSC1229). M.I. acknowledges financial support from ISTA and the Werner Siemens Foundation.","external_id":{"pmid":["37310395"],"isi":["001008564800001"]},"title":"Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance","article_processing_charge":"No","doi":"10.1021/acsnano.3c03541","citation":{"mla":"Liu, Yu, et al. “Surface Chemistry and Band Engineering in AgSbSe₂: Toward High Thermoelectric Performance.” <i>ACS Nano</i>, vol. 17, no. 12, American Chemical Society, 2023, pp. 11923–11934, doi:<a href=\"https://doi.org/10.1021/acsnano.3c03541\">10.1021/acsnano.3c03541</a>.","apa":"Liu, Y., Li, M., Wan, S., Lim, K. H., Zhang, Y., Li, M., … Cabot, A. (2023). Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance. <i>ACS Nano</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsnano.3c03541\">https://doi.org/10.1021/acsnano.3c03541</a>","short":"Y. Liu, M. Li, S. Wan, K.H. Lim, Y. Zhang, M. Li, J. Li, M. Ibáñez, M. Hong, A. Cabot, ACS Nano 17 (2023) 11923–11934.","chicago":"Liu, Yu, Mingquan Li, Shanhong Wan, Khak Ho Lim, Yu Zhang, Mengyao Li, Junshan Li, Maria Ibáñez, Min Hong, and Andreu Cabot. “Surface Chemistry and Band Engineering in AgSbSe₂: Toward High Thermoelectric Performance.” <i>ACS Nano</i>. American Chemical Society, 2023. <a href=\"https://doi.org/10.1021/acsnano.3c03541\">https://doi.org/10.1021/acsnano.3c03541</a>.","ama":"Liu Y, Li M, Wan S, et al. Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance. <i>ACS Nano</i>. 2023;17(12):11923–11934. doi:<a href=\"https://doi.org/10.1021/acsnano.3c03541\">10.1021/acsnano.3c03541</a>","ieee":"Y. Liu <i>et al.</i>, “Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance,” <i>ACS Nano</i>, vol. 17, no. 12. American Chemical Society, pp. 11923–11934, 2023.","ista":"Liu Y, Li M, Wan S, Lim KH, Zhang Y, Li M, Li J, Ibáñez M, Hong M, Cabot A. 2023. Surface chemistry and band engineering in AgSbSe₂: Toward high thermoelectric performance. ACS Nano. 17(12), 11923–11934."},"abstract":[{"lang":"eng","text":"AgSbSe2 is a promising thermoelectric (TE) p-type material for applications in the middle-temperature range. AgSbSe2 is characterized by relatively low thermal conductivities and high Seebeck coefficients, but its main limitation is moderate electrical conductivity. Herein, we detail an efficient and scalable hot-injection synthesis route to produce AgSbSe2 nanocrystals (NCs). To increase the carrier concentration and improve the electrical conductivity, these NCs are doped with Sn2+ on Sb3+ sites. Upon processing, the Sn2+ chemical state is conserved using a reducing NaBH4 solution to displace the organic ligand and anneal the material under a forming gas flow. The TE properties of the dense materials obtained from the consolidation of the NCs using a hot pressing are then characterized. The presence of Sn2+ ions replacing Sb3+ significantly increases the charge carrier concentration and, consequently, the electrical conductivity. Opportunely, the measured Seebeck coefficient varied within a small range upon Sn doping. The excellent performance obtained when Sn2+ ions are prevented from oxidation is rationalized by modeling the system. Calculated band structures disclosed that Sn doping induces convergence of the AgSbSe2 valence bands, accounting for an enhanced electronic effective mass. The dramatically enhanced carrier transport leads to a maximized power factor for AgSb0.98Sn0.02Se2 of 0.63 mW m–1 K–2 at 640 K. Thermally, phonon scattering is significantly enhanced in the NC-based materials, yielding an ultralow thermal conductivity of 0.3 W mK–1 at 666 K. Overall, a record-high figure of merit (zT) is obtained at 666 K for AgSb0.98Sn0.02Se2 at zT = 1.37, well above the values obtained for undoped AgSbSe2, at zT = 0.58 and state-of-art Pb- and Te-free materials, which makes AgSb0.98Sn0.02Se2 an excellent p-type candidate for medium-temperature TE applications."}],"publication_identifier":{"eissn":["1936-086X"],"issn":["1936-0851"]},"department":[{"_id":"MaIb"}]},{"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","language":[{"iso":"eng"}],"month":"04","scopus_import":"1","main_file_link":[{"url":"https://ddd.uab.cat/pub/artpub/2022/270830/10.1016j.cej.2021.133837.pdf","open_access":"1"}],"oa_version":"Submitted Version","article_number":"133837","project":[{"grant_number":"754411","_id":"260C2330-B435-11E9-9278-68D0E5697425","name":"ISTplus - Postdoctoral Fellowships","call_identifier":"H2020"},{"_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A","name":"Bottom-up Engineering for Thermoelectric Applications","grant_number":"M02889"},{"_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A","name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery"}],"corr_author":"1","department":[{"_id":"MaIb"}],"article_processing_charge":"No","abstract":[{"text":"A versatile, scalable, room temperature and surfactant-free route for the synthesis of metal chalcogenide nanoparticles in aqueous solution is detailed here for the production of PbS and Cu-doped PbS nanoparticles. Subsequently, nanoparticles are annealed in a reducing atmosphere to remove surface oxide, and consolidated into dense polycrystalline materials by means of spark plasma sintering. By characterizing the transport properties of the sintered material, we observe the annealing step and the incorporation of Cu to play a key role in promoting the thermoelectric performance of PbS. The presence of Cu allows improving the electrical conductivity by increasing the charge carrier concentration and simultaneously maintaining a large charge carrier mobility, which overall translates into record power factors at ambient temperature, 2.3 mWm-1K−2. Simultaneously, the lattice thermal conductivity decreases with the introduction of Cu, leading to a record high ZT = 0.37 at room temperature and ZT = 1.22 at 773 K. Besides, a record average ZTave = 0.76 is demonstrated in the temperature range 320–773 K for n-type Pb0.955Cu0.045S.","lang":"eng"}],"publication_identifier":{"issn":["1385-8947"]},"citation":{"mla":"Li, Mengyao, et al. “Room Temperature Aqueous-Based Synthesis of Copper-Doped Lead Sulfide Nanoparticles for Thermoelectric Application.” <i>Chemical Engineering Journal</i>, vol. 433, 133837, Elsevier, 2022, doi:<a href=\"https://doi.org/10.1016/j.cej.2021.133837\">10.1016/j.cej.2021.133837</a>.","apa":"Li, M., Liu, Y., Zhang, Y., Chang, C., Zhang, T., Yang, D., … Cabot, A. (2022). Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles for thermoelectric application. <i>Chemical Engineering Journal</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.cej.2021.133837\">https://doi.org/10.1016/j.cej.2021.133837</a>","ieee":"M. Li <i>et al.</i>, “Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles for thermoelectric application,” <i>Chemical Engineering Journal</i>, vol. 433. Elsevier, 2022.","ista":"Li M, Liu Y, Zhang Y, Chang C, Zhang T, Yang D, Xiao K, Arbiol J, Ibáñez M, Cabot A. 2022. Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles for thermoelectric application. Chemical Engineering Journal. 433, 133837.","chicago":"Li, Mengyao, Yu Liu, Yu Zhang, Cheng Chang, Ting Zhang, Dawei Yang, Ke Xiao, Jordi Arbiol, Maria Ibáñez, and Andreu Cabot. “Room Temperature Aqueous-Based Synthesis of Copper-Doped Lead Sulfide Nanoparticles for Thermoelectric Application.” <i>Chemical Engineering Journal</i>. Elsevier, 2022. <a href=\"https://doi.org/10.1016/j.cej.2021.133837\">https://doi.org/10.1016/j.cej.2021.133837</a>.","short":"M. Li, Y. Liu, Y. Zhang, C. Chang, T. Zhang, D. Yang, K. Xiao, J. Arbiol, M. Ibáñez, A. Cabot, Chemical Engineering Journal 433 (2022).","ama":"Li M, Liu Y, Zhang Y, et al. Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles for thermoelectric application. <i>Chemical Engineering Journal</i>. 2022;433. doi:<a href=\"https://doi.org/10.1016/j.cej.2021.133837\">10.1016/j.cej.2021.133837</a>"},"doi":"10.1016/j.cej.2021.133837","title":"Room temperature aqueous-based synthesis of copper-doped lead sulfide nanoparticles for thermoelectric application","date_updated":"2025-04-14T07:43:48Z","publisher":"Elsevier","_id":"10566","external_id":{"isi":["000773425200006"]},"acknowledgement":"This work was supported by the European Regional Development Funds. MYL, YZ, DWY and KX thank the China Scholarship Council for scholarship support. YL acknowledges funding from the European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411 and the funding for scientific research startup of Hefei University of Technology (No. 13020-03712021049). MI acknowledges funding from IST Austria and the Werner Siemens Foundation. CC acknowledges funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N. TZ has received funding from the CSC-UAB PhD scholarship program. ICN2 acknowledges funding from Generalitat de Catalunya 2017 SGR 327. ICN2 thanks support from the project NANOGEN (PID2020-116093RB-C43), funded by MCIN/ AEI/10.13039/501100011033/. ICN2 is supported by the Severo Ochoa program from Spanish MINECO (Grant No. SEV-2017-0706) and is funded by the CERCA Programme / Generalitat de Catalunya. Part of the present work has been performed in the framework of Universitat Autònoma de Barcelona Materials Science PhD program.","isi":1,"author":[{"last_name":"Li","full_name":"Li, Mengyao","first_name":"Mengyao"},{"first_name":"Yu","full_name":"Liu, Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","last_name":"Liu","orcid":"0000-0001-7313-6740"},{"last_name":"Zhang","full_name":"Zhang, Yu","first_name":"Yu"},{"full_name":"Chang, Cheng","first_name":"Cheng","id":"9E331C2E-9F27-11E9-AE48-5033E6697425","last_name":"Chang","orcid":"0000-0002-9515-4277"},{"last_name":"Zhang","full_name":"Zhang, Ting","first_name":"Ting"},{"last_name":"Yang","full_name":"Yang, Dawei","first_name":"Dawei"},{"first_name":"Ke","full_name":"Xiao, Ke","last_name":"Xiao"},{"first_name":"Jordi","full_name":"Arbiol, Jordi","last_name":"Arbiol"},{"first_name":"Maria","full_name":"Ibáñez, Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","orcid":"0000-0001-5013-2843"},{"last_name":"Cabot","full_name":"Cabot, Andreu","first_name":"Andreu"}],"day":"01","ec_funded":1,"volume":433,"article_type":"original","quality_controlled":"1","fulldoi":"https://doi.org/10.1016/j.cej.2021.133837","publication_status":"published","publication":"Chemical Engineering Journal","date_created":"2021-12-19T23:01:33Z","date_published":"2022-04-01T00:00:00Z","oa":1,"status":"public","year":"2022","intvolume":"       433","type":"journal_article"},{"corr_author":"1","keyword":["tin selenide","nanocomposite","grain growth","Zener pinning","thermoelectricity","annealing","solution processing"],"has_accepted_license":"1","department":[{"_id":"MaIb"}],"article_processing_charge":"Yes (via OA deal)","doi":"10.1021/acsnano.1c06720","citation":{"apa":"Liu, Y., Calcabrini, M., Yu, Y., Lee, S., Chang, C., David, J., … Ibáñez, M. (2022). Defect engineering in solution-processed polycrystalline SnSe leads to high thermoelectric performance. <i>ACS Nano</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsnano.1c06720\">https://doi.org/10.1021/acsnano.1c06720</a>","mla":"Liu, Yu, et al. “Defect Engineering in Solution-Processed Polycrystalline SnSe Leads to High Thermoelectric Performance.” <i>ACS Nano</i>, vol. 16, no. 1, American Chemical Society, 2022, pp. 78–88, doi:<a href=\"https://doi.org/10.1021/acsnano.1c06720\">10.1021/acsnano.1c06720</a>.","ista":"Liu Y, Calcabrini M, Yu Y, Lee S, Chang C, David J, Ghosh T, Spadaro MC, Xie C, Cojocaru-Mirédin O, Arbiol J, Ibáñez M. 2022. Defect engineering in solution-processed polycrystalline SnSe leads to high thermoelectric performance. ACS Nano. 16(1), 78–88.","ieee":"Y. Liu <i>et al.</i>, “Defect engineering in solution-processed polycrystalline SnSe leads to high thermoelectric performance,” <i>ACS Nano</i>, vol. 16, no. 1. American Chemical Society, pp. 78–88, 2022.","ama":"Liu Y, Calcabrini M, Yu Y, et al. Defect engineering in solution-processed polycrystalline SnSe leads to high thermoelectric performance. <i>ACS Nano</i>. 2022;16(1):78-88. doi:<a href=\"https://doi.org/10.1021/acsnano.1c06720\">10.1021/acsnano.1c06720</a>","short":"Y. Liu, M. Calcabrini, Y. Yu, S. Lee, C. Chang, J. David, T. Ghosh, M.C. Spadaro, C. Xie, O. Cojocaru-Mirédin, J. Arbiol, M. Ibáñez, ACS Nano 16 (2022) 78–88.","chicago":"Liu, Yu, Mariano Calcabrini, Yuan Yu, Seungho Lee, Cheng Chang, Jérémy David, Tanmoy Ghosh, et al. “Defect Engineering in Solution-Processed Polycrystalline SnSe Leads to High Thermoelectric Performance.” <i>ACS Nano</i>. American Chemical Society, 2022. <a href=\"https://doi.org/10.1021/acsnano.1c06720\">https://doi.org/10.1021/acsnano.1c06720</a>."},"file_date_updated":"2022-03-02T16:17:29Z","abstract":[{"lang":"eng","text":"SnSe has emerged as one of the most promising materials for thermoelectric energy conversion due to its extraordinary performance in its single-crystal form and its low-cost constituent elements. However, to achieve an economic impact, the polycrystalline counterpart needs to replicate the performance of the single crystal. Herein, we optimize the thermoelectric performance of polycrystalline SnSe produced by consolidating solution-processed and surface-engineered SnSe particles. In particular, the SnSe particles are coated with CdSe molecular complexes that crystallize during the sintering process, forming CdSe nanoparticles. The presence of CdSe nanoparticles inhibits SnSe grain growth during the consolidation step due to Zener pinning, yielding a material with a high density of grain boundaries. Moreover, the resulting SnSe–CdSe nanocomposites present a large number of defects at different length scales, which significantly reduce the thermal conductivity. The produced SnSe–CdSe nanocomposites exhibit thermoelectric figures of merit up to 2.2 at 786 K, which is among the highest reported for solution-processed SnSe."}],"publication_identifier":{"issn":["1936-0851"],"eissn":["1936-086X"]},"title":"Defect engineering in solution-processed polycrystalline SnSe leads to high thermoelectric performance","_id":"10042","publisher":"American Chemical Society","ddc":["540"],"date_updated":"2026-07-06T12:16:06Z","acknowledgement":"This work was financially supported by IST Austria and the Werner Siemens Foundation. Y.L. acknowledges funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411. S.L. and M.C. received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie Grant Agreement No. 665385. J.D. acknowledges funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement no. 665919 (P-SPHERE) cofunded by Severo Ochoa Programme. C.C. acknowledges funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N. Y.Y. and O.C.-M. acknowledge the financial support from DFG within the project SFB 917: Nanoswitches. M.C.S. received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 754510 (PROBIST) and the Severo Ochoa programme. J.D. received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No. 665919 (P-SPHERE) cofunded by Severo Ochoa Programme. The ICN2 is funded by the CERCA Program/Generalitat de Catalunya and by the Severo Ochoa program of the Spanish Ministry of Economy, Industry, and Competitiveness (MINECO, grant no. SEV-2017-0706). ICN2 acknowledges funding from Generalitat de Catalunya 2017 SGR 327 and the Spanish MINECO project NANOGEN (PID2020-116093RB-C43). This project received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No. 823717-ESTEEM3. The FIB sample preparation was conducted in the LMA-INA-Universidad de Zaragoza.","external_id":{"pmid":["34549956"],"isi":["000767223400008"]},"language":[{"iso":"eng"}],"month":"01","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","scopus_import":"1","oa_version":"Published Version","project":[{"call_identifier":"H2020","_id":"260C2330-B435-11E9-9278-68D0E5697425","name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411"},{"_id":"2564DBCA-B435-11E9-9278-68D0E5697425","name":"International IST Doctoral Program","call_identifier":"H2020","grant_number":"665385"},{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"},{"grant_number":"M02889","_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A","name":"Bottom-up Engineering for Thermoelectric Applications"}],"publication_status":"published","fulldoi":"https://doi.org/10.1021/acsnano.1c06720","publication":"ACS Nano","tmp":{"image":"/images/cc_by.png","short":"CC BY (4.0)","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode"},"date_created":"2021-09-24T07:55:12Z","oa":1,"date_published":"2022-01-25T00:00:00Z","related_material":{"record":[{"id":"12885","relation":"dissertation_contains","status":"public"}]},"intvolume":"        16","year":"2022","status":"public","issue":"1","type":"journal_article","author":[{"full_name":"Liu, Yu","first_name":"Yu","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","last_name":"Liu","orcid":"0000-0001-7313-6740"},{"id":"45D7531A-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0003-4566-5877","last_name":"Calcabrini","full_name":"Calcabrini, Mariano","first_name":"Mariano"},{"last_name":"Yu","full_name":"Yu, Yuan","first_name":"Yuan"},{"id":"BB243B88-D767-11E9-B658-BC13E6697425","last_name":"Lee","orcid":"0000-0002-6962-8598","full_name":"Lee, Seungho","first_name":"Seungho"},{"first_name":"Cheng","full_name":"Chang, Cheng","orcid":"0000-0002-9515-4277","last_name":"Chang","id":"9E331C2E-9F27-11E9-AE48-5033E6697425"},{"first_name":"Jérémy","full_name":"David, Jérémy","last_name":"David"},{"id":"a5fc9bc3-feff-11ea-93fe-e8015a3c7e9d","last_name":"Ghosh","first_name":"Tanmoy","full_name":"Ghosh, Tanmoy"},{"last_name":"Spadaro","first_name":"Maria Chiara","full_name":"Spadaro, Maria Chiara"},{"first_name":"Chenyang","full_name":"Xie, Chenyang","last_name":"Xie"},{"full_name":"Cojocaru-Mirédin, Oana","first_name":"Oana","last_name":"Cojocaru-Mirédin"},{"full_name":"Arbiol, Jordi","first_name":"Jordi","last_name":"Arbiol"},{"first_name":"Maria","full_name":"Ibáñez, Maria","last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-5013-2843"}],"isi":1,"day":"25","ec_funded":1,"das_tickbox":"1","page":"78-88","volume":16,"article_type":"original","pmid":1,"quality_controlled":"1","file":[{"checksum":"74f9c1aa5f95c0b992a4328e8e0247b4","relation":"main_file","date_updated":"2022-03-02T16:17:29Z","file_name":"2022_ACSNano_Liu.pdf","access_level":"open_access","date_created":"2022-03-02T16:17:29Z","creator":"cchlebak","file_size":9050764,"success":1,"file_id":"10808","content_type":"application/pdf"}]},{"corr_author":"1","department":[{"_id":"MaIb"}],"article_processing_charge":"No","citation":{"ista":"Ibáñez M, Liu Y, Calcabrini M. 2022. The importance of surface adsorbates in solution-processed thermoelectric materials. Proceedings of the nanoGe Spring Meeting 2022. SNI: Semiconductor Nanocrystals, 159.","ieee":"M. Ibáñez, Y. Liu, and M. Calcabrini, “The importance of surface adsorbates in solution-processed thermoelectric materials,” in <i>Proceedings of the nanoGe Spring Meeting 2022</i>, Spain/Virtual, 2022.","ama":"Ibáñez M, Liu Y, Calcabrini M. The importance of surface adsorbates in solution-processed thermoelectric materials. In: <i>Proceedings of the NanoGe Spring Meeting 2022</i>. Fundació de la comunitat valenciana SCITO; 2022. doi:<a href=\"https://doi.org/10.29363/nanoge.nsm.2022.159\">10.29363/nanoge.nsm.2022.159</a>","chicago":"Ibáñez, Maria, Yu Liu, and Mariano Calcabrini. “The Importance of Surface Adsorbates in Solution-Processed Thermoelectric Materials.” In <i>Proceedings of the NanoGe Spring Meeting 2022</i>. Fundació de la comunitat valenciana SCITO, 2022. <a href=\"https://doi.org/10.29363/nanoge.nsm.2022.159\">https://doi.org/10.29363/nanoge.nsm.2022.159</a>.","short":"M. Ibáñez, Y. Liu, M. Calcabrini, in:, Proceedings of the NanoGe Spring Meeting 2022, Fundació de la comunitat valenciana SCITO, 2022.","apa":"Ibáñez, M., Liu, Y., &#38; Calcabrini, M. (2022). The importance of surface adsorbates in solution-processed thermoelectric materials. In <i>Proceedings of the nanoGe Spring Meeting 2022</i>. Spain/Virtual: Fundació de la comunitat valenciana SCITO. <a href=\"https://doi.org/10.29363/nanoge.nsm.2022.159\">https://doi.org/10.29363/nanoge.nsm.2022.159</a>","mla":"Ibáñez, Maria, et al. “The Importance of Surface Adsorbates in Solution-Processed Thermoelectric Materials.” <i>Proceedings of the NanoGe Spring Meeting 2022</i>, 159, Fundació de la comunitat valenciana SCITO, 2022, doi:<a href=\"https://doi.org/10.29363/nanoge.nsm.2022.159\">10.29363/nanoge.nsm.2022.159</a>."},"doi":"10.29363/nanoge.nsm.2022.159","title":"The importance of surface adsorbates in solution-processed thermoelectric materials","ddc":["530"],"date_updated":"2026-07-06T13:07:39Z","_id":"17062","publisher":"Fundació de la comunitat valenciana SCITO","acknowledgement":"Werner Siemens Foundation\r\nEuropean Union's Horizon 2020\r\nFWF “Lise Meitner Fellowship”","month":"02","language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","main_file_link":[{"open_access":"1","url":"https://doi.org/10.29363/nanoge.nsm.2022.159"}],"oa_version":"Published Version","article_number":"159","project":[{"name":"HighTE: The Werner Siemens Laboratory for the High Throughput Discovery of Semiconductors for Waste Heat Recovery","_id":"9B8F7476-BA93-11EA-9121-9846C619BF3A"}],"conference":{"start_date":"2022-03-07","end_date":"2022-03-11","name":"SNI: Semiconductor Nanocrystals","location":"Spain/Virtual"},"fulldoi":"https://doi.org/10.29363/nanoge.nsm.2022.159","publication_status":"published","publication":"Proceedings of the nanoGe Spring Meeting 2022","date_created":"2024-05-29T05:38:47Z","date_published":"2022-02-07T00:00:00Z","oa":1,"year":"2022","status":"public","related_material":{"record":[{"relation":"earlier_version","id":"10123","status":"public"}]},"type":"conference_abstract","author":[{"full_name":"Ibáñez, Maria","first_name":"Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-5013-2843","last_name":"Ibáñez"},{"id":"2A70014E-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-7313-6740","last_name":"Liu","full_name":"Liu, Yu","first_name":"Yu"},{"first_name":"Mariano","full_name":"Calcabrini, Mariano","id":"45D7531A-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0003-4566-5877","last_name":"Calcabrini"}],"day":"07","quality_controlled":"1"},{"oa_version":"Published Version","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","month":"08","language":[{"iso":"eng"}],"scopus_import":"1","project":[{"name":"Bottom-up Engineering for Thermoelectric Applications","_id":"9B8804FC-BA93-11EA-9121-9846C619BF3A","grant_number":"M02889"},{"grant_number":"754411","_id":"260C2330-B435-11E9-9278-68D0E5697425","name":"ISTplus - Postdoctoral Fellowships","call_identifier":"H2020"}],"article_number":"e202207002","article_processing_charge":"Yes (via OA deal)","publication_identifier":{"eissn":["1521-3773"],"issn":["1433-7851"]},"abstract":[{"lang":"eng","text":"The broad implementation of thermoelectricity requires high-performance and low-cost materials. One possibility is employing surfactant-free solution synthesis to produce nanopowders. We propose the strategy of functionalizing “naked” particles’ surface by inorganic molecules to control the nanostructure and, consequently, thermoelectric performance. In particular, we use bismuth thiolates to functionalize surfactant-free SnTe particles’ surfaces. Upon thermal processing, bismuth thiolates decomposition renders SnTe-Bi2S3 nanocomposites with synergistic functions: 1) carrier concentration optimization by Bi doping; 2) Seebeck coefficient enhancement and bipolar effect suppression by energy filtering; and 3) lattice thermal conductivity reduction by small grain domains, grain boundaries and nanostructuration. Overall, the SnTe-Bi2S3 nanocomposites exhibit peak z T up to 1.3 at 873 K and an average z T of ≈0.6 at 300–873 K, which is among the highest reported for solution-processed SnTe."}],"doi":"10.1002/anie.202207002","file_date_updated":"2023-02-02T08:01:00Z","citation":{"apa":"Chang, C., Liu, Y., Lee, S., Spadaro, M., Koskela, K. M., Kleinhanns, T., … Ibáñez, M. (2022). Surface functionalization of surfactant-free particles: A strategy to tailor the properties of nanocomposites for enhanced thermoelectric performance. <i>Angewandte Chemie International Edition</i>. Wiley. <a href=\"https://doi.org/10.1002/anie.202207002\">https://doi.org/10.1002/anie.202207002</a>","mla":"Chang, Cheng, et al. “Surface Functionalization of Surfactant-Free Particles: A Strategy to Tailor the Properties of Nanocomposites for Enhanced Thermoelectric Performance.” <i>Angewandte Chemie International Edition</i>, vol. 61, no. 35, e202207002, Wiley, 2022, doi:<a href=\"https://doi.org/10.1002/anie.202207002\">10.1002/anie.202207002</a>.","ista":"Chang C, Liu Y, Lee S, Spadaro M, Koskela KM, Kleinhanns T, Costanzo T, Arbiol J, Brutchey RL, Ibáñez M. 2022. Surface functionalization of surfactant-free particles: A strategy to tailor the properties of nanocomposites for enhanced thermoelectric performance. Angewandte Chemie International Edition. 61(35), e202207002.","ieee":"C. Chang <i>et al.</i>, “Surface functionalization of surfactant-free particles: A strategy to tailor the properties of nanocomposites for enhanced thermoelectric performance,” <i>Angewandte Chemie International Edition</i>, vol. 61, no. 35. Wiley, 2022.","ama":"Chang C, Liu Y, Lee S, et al. Surface functionalization of surfactant-free particles: A strategy to tailor the properties of nanocomposites for enhanced thermoelectric performance. <i>Angewandte Chemie International Edition</i>. 2022;61(35). doi:<a href=\"https://doi.org/10.1002/anie.202207002\">10.1002/anie.202207002</a>","chicago":"Chang, Cheng, Yu Liu, Seungho Lee, Maria Spadaro, Kristopher M. Koskela, Tobias Kleinhanns, Tommaso Costanzo, Jordi Arbiol, Richard L. Brutchey, and Maria Ibáñez. “Surface Functionalization of Surfactant-Free Particles: A Strategy to Tailor the Properties of Nanocomposites for Enhanced Thermoelectric Performance.” <i>Angewandte Chemie International Edition</i>. Wiley, 2022. <a href=\"https://doi.org/10.1002/anie.202207002\">https://doi.org/10.1002/anie.202207002</a>.","short":"C. Chang, Y. Liu, S. Lee, M. Spadaro, K.M. Koskela, T. Kleinhanns, T. Costanzo, J. Arbiol, R.L. Brutchey, M. Ibáñez, Angewandte Chemie International Edition 61 (2022)."},"corr_author":"1","department":[{"_id":"MaIb"},{"_id":"EM-Fac"}],"has_accepted_license":"1","ddc":["540"],"date_updated":"2026-07-08T05:53:49Z","publisher":"Wiley","_id":"11705","external_id":{"pmid":["38505739"],"isi":["000828274200001"]},"acknowledgement":"This research was supported by the Scientific Service Units (SSU) of IST Austria through resources provided by Electron Microscopy Facility (EMF) and the Nanofabrication Facility (NNF). This work was financially supported by IST Austria and the Werner Siemens Foundation. C.C. acknowledges funding from the FWF “Lise Meitner Fellowship” grant agreement M 2889-N. Lise Meitner Project (M2889-N). Y.L. acknowledges funding from the European Union's Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754411. R.L.B. thanks the National Science Foundation for support under DMR-1904719. MCS acknowledge MINECO Juan de la Cierva Incorporation fellowship (JdlCI 2019) and Severo Ochoa. M.C.S. and J.A. acknowledge funding from Generalitat de Catalunya 2017 SGR 327. ICN2 is supported by the Severo Ochoa program from Spanish MINECO (Grant no. SEV-2017-0706) and is funded by the CERCA Programme/Generalitat de Catalunya. This study was supported by MCIN with funding from European Union NextGenerationEU (PRTR-C17.I1) and Generalitat de Catalunya.","title":"Surface functionalization of surfactant-free particles: A strategy to tailor the properties of nanocomposites for enhanced thermoelectric performance","ec_funded":1,"das_tickbox":"1","isi":1,"author":[{"first_name":"Cheng","full_name":"Chang, Cheng","id":"9E331C2E-9F27-11E9-AE48-5033E6697425","orcid":"0000-0002-9515-4277","last_name":"Chang"},{"last_name":"Liu","orcid":"0000-0001-7313-6740","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","full_name":"Liu, Yu","first_name":"Yu"},{"first_name":"Seungho","full_name":"Lee, Seungho","orcid":"0000-0002-6962-8598","id":"BB243B88-D767-11E9-B658-BC13E6697425","last_name":"Lee"},{"full_name":"Spadaro, Maria","first_name":"Maria","last_name":"Spadaro"},{"first_name":"Kristopher M.","full_name":"Koskela, Kristopher M.","last_name":"Koskela"},{"full_name":"Kleinhanns, Tobias","first_name":"Tobias","last_name":"Kleinhanns","id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425","orcid":"0000-0003-1537-7436"},{"orcid":"0000-0001-9732-3815","last_name":"Costanzo","id":"D93824F4-D9BA-11E9-BB12-F207E6697425","full_name":"Costanzo, Tommaso","first_name":"Tommaso"},{"last_name":"Arbiol","full_name":"Arbiol, Jordi","first_name":"Jordi"},{"last_name":"Brutchey","full_name":"Brutchey, Richard L.","first_name":"Richard L."},{"full_name":"Ibáñez, Maria","first_name":"Maria","last_name":"Ibáñez","id":"43C61214-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-5013-2843"}],"day":"26","acknowledged_ssus":[{"_id":"EM-Fac"},{"_id":"NanoFab"}],"pmid":1,"article_type":"original","file":[{"content_type":"application/pdf","file_id":"12476","success":1,"file_size":4072650,"creator":"dernst","date_created":"2023-02-02T08:01:00Z","access_level":"open_access","file_name":"2022_AngewandteChemieInternat_Chang.pdf","date_updated":"2023-02-02T08:01:00Z","relation":"main_file","checksum":"ad601f2b9e26e46ab4785162be58b5ed"}],"quality_controlled":"1","volume":61,"fulldoi":"https://doi.org/10.1002/anie.202207002","publication_status":"published","tmp":{"image":"/images/cc_by.png","short":"CC BY (4.0)","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode"},"publication":"Angewandte Chemie International Edition","status":"public","year":"2022","intvolume":"        61","type":"journal_article","issue":"35","date_created":"2022-07-31T22:01:48Z","date_published":"2022-08-26T00:00:00Z","oa":1},{"fulldoi":"https://doi.org/10.3390/nano11071827","publication_status":"published","tmp":{"image":"/images/cc_by.png","short":"CC BY (4.0)","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode"},"publication":"Nanomaterials","date_created":"2022-03-18T09:45:02Z","date_published":"2021-07-14T00:00:00Z","oa":1,"year":"2021","status":"public","intvolume":"        11","type":"journal_article","issue":"7","isi":1,"author":[{"full_name":"Li, Mengyao","first_name":"Mengyao","last_name":"Li"},{"last_name":"Zhang","first_name":"Yu","full_name":"Zhang, Yu"},{"first_name":"Ting","full_name":"Zhang, Ting","last_name":"Zhang"},{"last_name":"Zuo","full_name":"Zuo, Yong","first_name":"Yong"},{"first_name":"Ke","full_name":"Xiao, Ke","last_name":"Xiao"},{"last_name":"Arbiol","first_name":"Jordi","full_name":"Arbiol, Jordi"},{"last_name":"Llorca","full_name":"Llorca, Jordi","first_name":"Jordi"},{"id":"2A70014E-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-7313-6740","last_name":"Liu","first_name":"Yu","full_name":"Liu, Yu"},{"full_name":"Cabot, Andreu","first_name":"Andreu","last_name":"Cabot"}],"day":"14","ec_funded":1,"volume":11,"pmid":1,"article_type":"original","file":[{"file_name":"2021_Nanomaterials_Li.pdf","date_created":"2022-03-18T09:53:15Z","access_level":"open_access","date_updated":"2022-03-18T09:53:15Z","relation":"main_file","checksum":"f28a8b5cf80f5605828359bb398463b0","success":1,"file_id":"10859","content_type":"application/pdf","creator":"dernst","file_size":4867547}],"quality_controlled":"1","keyword":["General Materials Science","General Chemical Engineering"],"corr_author":"1","department":[{"_id":"MaIb"}],"has_accepted_license":"1","article_processing_charge":"No","publication_identifier":{"issn":["2079-4991"]},"abstract":[{"text":"The cost-effective conversion of low-grade heat into electricity using thermoelectric devices requires developing alternative materials and material processing technologies able to reduce the currently high device manufacturing costs. In this direction, thermoelectric materials that do not rely on rare or toxic elements such as tellurium or lead need to be produced using high-throughput technologies not involving high temperatures and long processes. Bi2Se3 is an obvious possible Te-free alternative to Bi2Te3 for ambient temperature thermoelectric applications, but its performance is still low for practical applications, and additional efforts toward finding proper dopants are required. Here, we report a scalable method to produce Bi2Se3 nanosheets at low synthesis temperatures. We studied the influence of different dopants on the thermoelectric properties of this material. Among the elements tested, we demonstrated that Sn doping resulted in the best performance. Sn incorporation resulted in a significant improvement to the Bi2Se3 Seebeck coefficient and a reduction in the thermal conductivity in the direction of the hot-press axis, resulting in an overall 60% improvement in the thermoelectric figure of merit of Bi2Se3.","lang":"eng"}],"citation":{"ista":"Li M, Zhang Y, Zhang T, Zuo Y, Xiao K, Arbiol J, Llorca J, Liu Y, Cabot A. 2021. Enhanced thermoelectric performance of n-type Bi2Se3 nanosheets through Sn doping. Nanomaterials. 11(7), 1827.","ieee":"M. Li <i>et al.</i>, “Enhanced thermoelectric performance of n-type Bi2Se3 nanosheets through Sn doping,” <i>Nanomaterials</i>, vol. 11, no. 7. MDPI, 2021.","ama":"Li M, Zhang Y, Zhang T, et al. Enhanced thermoelectric performance of n-type Bi2Se3 nanosheets through Sn doping. <i>Nanomaterials</i>. 2021;11(7). doi:<a href=\"https://doi.org/10.3390/nano11071827\">10.3390/nano11071827</a>","chicago":"Li, Mengyao, Yu Zhang, Ting Zhang, Yong Zuo, Ke Xiao, Jordi Arbiol, Jordi Llorca, Yu Liu, and Andreu Cabot. “Enhanced Thermoelectric Performance of N-Type Bi2Se3 Nanosheets through Sn Doping.” <i>Nanomaterials</i>. MDPI, 2021. <a href=\"https://doi.org/10.3390/nano11071827\">https://doi.org/10.3390/nano11071827</a>.","short":"M. Li, Y. Zhang, T. Zhang, Y. Zuo, K. Xiao, J. Arbiol, J. Llorca, Y. Liu, A. Cabot, Nanomaterials 11 (2021).","apa":"Li, M., Zhang, Y., Zhang, T., Zuo, Y., Xiao, K., Arbiol, J., … Cabot, A. (2021). Enhanced thermoelectric performance of n-type Bi2Se3 nanosheets through Sn doping. <i>Nanomaterials</i>. MDPI. <a href=\"https://doi.org/10.3390/nano11071827\">https://doi.org/10.3390/nano11071827</a>","mla":"Li, Mengyao, et al. “Enhanced Thermoelectric Performance of N-Type Bi2Se3 Nanosheets through Sn Doping.” <i>Nanomaterials</i>, vol. 11, no. 7, 1827, MDPI, 2021, doi:<a href=\"https://doi.org/10.3390/nano11071827\">10.3390/nano11071827</a>."},"doi":"10.3390/nano11071827","file_date_updated":"2022-03-18T09:53:15Z","title":"Enhanced thermoelectric performance of n-type Bi2Se3 nanosheets through Sn doping","date_updated":"2025-06-12T06:42:18Z","ddc":["540"],"_id":"10858","publisher":"MDPI","external_id":{"pmid":["34361214"],"isi":["000676570000001"]},"acknowledgement":"M.L., Y.Z., T.Z. and K.X. thank the China Scholarship Council for their scholarship\r\nsupport. Y.L. acknowledges funding from the European Union’s Horizon 2020 research and\r\ninnovation program under the Marie Sklodowska-Curie grant agreement No. 754411. J.L. thanks the ICREA Academia program and projects MICINN/FEDER RTI2018-093996-B-C31 and G.C. 2017 SGR 128. ICN2 acknowledges funding from the Generalitat de Catalunya 2017 SGR 327 and the Spanish MINECO ENE2017-85087-C3.","month":"07","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","language":[{"iso":"eng"}],"scopus_import":"1","oa_version":"Published Version","article_number":"1827","project":[{"grant_number":"754411","call_identifier":"H2020","name":"ISTplus - Postdoctoral Fellowships","_id":"260C2330-B435-11E9-9278-68D0E5697425"}]},{"intvolume":"         6","related_material":{"record":[{"status":"public","id":"12885","relation":"dissertation_contains"}]},"status":"public","year":"2021","issue":"2","type":"journal_article","date_created":"2021-02-14T23:01:14Z","oa":1,"date_published":"2021-01-20T00:00:00Z","publication_status":"published","fulldoi":"https://doi.org/10.1021/acsenergylett.0c02448","publication":"ACS Energy Letters","tmp":{"image":"/images/cc_by.png","short":"CC BY (4.0)","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode"},"article_type":"original","pmid":1,"quality_controlled":"1","file":[{"checksum":"6fa7374bf8b95fdfe6e6c595322a6689","relation":"main_file","date_updated":"2021-02-17T07:36:52Z","access_level":"open_access","date_created":"2021-02-17T07:36:52Z","file_name":"2021_ACSEnergyLetters_Calcabrini.pdf","file_size":5071201,"creator":"dernst","file_id":"9155","content_type":"application/pdf","success":1}],"volume":6,"ec_funded":1,"page":"581-587","author":[{"id":"45D7531A-F248-11E8-B48F-1D18A9856A87","last_name":"Calcabrini","orcid":"0000-0003-4566-5877","full_name":"Calcabrini, Mariano","first_name":"Mariano"},{"full_name":"Genc, Aziz","first_name":"Aziz","last_name":"Genc"},{"id":"2A70014E-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-7313-6740","last_name":"Liu","first_name":"Yu","full_name":"Liu, Yu"},{"full_name":"Kleinhanns, Tobias","first_name":"Tobias","id":"8BD9DE16-AB3C-11E9-9C8C-2A03E6697425","last_name":"Kleinhanns","orcid":"0000-0003-1537-7436"},{"last_name":"Lee","id":"BB243B88-D767-11E9-B658-BC13E6697425","orcid":"0000-0002-6962-8598","first_name":"Seungho","full_name":"Lee, Seungho"},{"last_name":"Dirin","first_name":"Dmitry N.","full_name":"Dirin, Dmitry N."},{"last_name":"Akkerman","full_name":"Akkerman, Quinten A.","first_name":"Quinten A."},{"last_name":"Kovalenko","full_name":"Kovalenko, Maksym V.","first_name":"Maksym V."},{"last_name":"Arbiol","first_name":"Jordi","full_name":"Arbiol, Jordi"},{"first_name":"Maria","full_name":"Ibáñez, Maria","id":"43C61214-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-5013-2843","last_name":"Ibáñez"}],"isi":1,"day":"20","_id":"9118","publisher":"American Chemical Society","ddc":["540"],"date_updated":"2026-04-07T13:26:13Z","acknowledgement":"M.C. has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie Grant Agreement No. 665385. ICN2\r\nacknowledges funding from Generalitat de Catalunya 2017 SGR 327. ICN2 is supported by the Severo Ochoa program from Spanish MINECO (Grant No. SEV-2017-0706) and is funded by the CERCA Programme/Generalitat de Catalunya. This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 823717 − ESTEEM3. M.V.K. acknowledges the support by the European Research Council under the Horizon 2020 Framework Program (ERC Consolidator Grant SCALEHALO\r\nGrant Agreement No. 819740) and by FET-OPEN project no. 862656 (DROP-IT).","external_id":{"pmid":["33614964"],"isi":["000619803400036"]},"title":"Exploiting the lability of metal halide perovskites for doping semiconductor nanocomposites","article_processing_charge":"Yes (via OA deal)","file_date_updated":"2021-02-17T07:36:52Z","citation":{"ama":"Calcabrini M, Genc A, Liu Y, et al. Exploiting the lability of metal halide perovskites for doping semiconductor nanocomposites. <i>ACS Energy Letters</i>. 2021;6(2):581-587. doi:<a href=\"https://doi.org/10.1021/acsenergylett.0c02448\">10.1021/acsenergylett.0c02448</a>","short":"M. Calcabrini, A. Genc, Y. Liu, T. Kleinhanns, S. Lee, D.N. Dirin, Q.A. Akkerman, M.V. Kovalenko, J. Arbiol, M. Ibáñez, ACS Energy Letters 6 (2021) 581–587.","chicago":"Calcabrini, Mariano, Aziz Genc, Yu Liu, Tobias Kleinhanns, Seungho Lee, Dmitry N. Dirin, Quinten A. Akkerman, Maksym V. Kovalenko, Jordi Arbiol, and Maria Ibáñez. “Exploiting the Lability of Metal Halide Perovskites for Doping Semiconductor Nanocomposites.” <i>ACS Energy Letters</i>. American Chemical Society, 2021. <a href=\"https://doi.org/10.1021/acsenergylett.0c02448\">https://doi.org/10.1021/acsenergylett.0c02448</a>.","ista":"Calcabrini M, Genc A, Liu Y, Kleinhanns T, Lee S, Dirin DN, Akkerman QA, Kovalenko MV, Arbiol J, Ibáñez M. 2021. Exploiting the lability of metal halide perovskites for doping semiconductor nanocomposites. ACS Energy Letters. 6(2), 581–587.","ieee":"M. Calcabrini <i>et al.</i>, “Exploiting the lability of metal halide perovskites for doping semiconductor nanocomposites,” <i>ACS Energy Letters</i>, vol. 6, no. 2. American Chemical Society, pp. 581–587, 2021.","apa":"Calcabrini, M., Genc, A., Liu, Y., Kleinhanns, T., Lee, S., Dirin, D. N., … Ibáñez, M. (2021). Exploiting the lability of metal halide perovskites for doping semiconductor nanocomposites. <i>ACS Energy Letters</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsenergylett.0c02448\">https://doi.org/10.1021/acsenergylett.0c02448</a>","mla":"Calcabrini, Mariano, et al. “Exploiting the Lability of Metal Halide Perovskites for Doping Semiconductor Nanocomposites.” <i>ACS Energy Letters</i>, vol. 6, no. 2, American Chemical Society, 2021, pp. 581–87, doi:<a href=\"https://doi.org/10.1021/acsenergylett.0c02448\">10.1021/acsenergylett.0c02448</a>."},"doi":"10.1021/acsenergylett.0c02448","publication_identifier":{"eissn":["2380-8195"]},"abstract":[{"text":"Cesium lead halides have intrinsically unstable crystal lattices and easily transform within perovskite and nonperovskite structures. In this work, we explore the conversion of the perovskite CsPbBr3 into Cs4PbBr6 in the presence of PbS at 450 °C to produce doped nanocrystal-based composites with embedded Cs4PbBr6 nanoprecipitates. We show that PbBr2 is extracted from CsPbBr3 and diffuses into the PbS lattice with a consequent increase in the concentration of free charge carriers. This new doping strategy enables the adjustment of the density of charge carriers between 1019 and 1020 cm–3, and it may serve as a general strategy for doping other nanocrystal-based semiconductors.","lang":"eng"}],"has_accepted_license":"1","department":[{"_id":"MaIb"}],"project":[{"call_identifier":"H2020","_id":"2564DBCA-B435-11E9-9278-68D0E5697425","name":"International IST Doctoral Program","grant_number":"665385"}],"oa_version":"Published Version","language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","month":"01","scopus_import":"1"},{"publication":"Materials","tmp":{"image":"/images/cc_by.png","short":"CC BY (4.0)","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode"},"publication_status":"published","fulldoi":"https://doi.org/10.3390/ma14040853","issue":"4","type":"journal_article","intvolume":"        14","year":"2021","status":"public","oa":1,"date_published":"2021-02-10T00:00:00Z","date_created":"2021-02-28T23:01:24Z","day":"10","author":[{"full_name":"Cadavid, Doris","first_name":"Doris","last_name":"Cadavid"},{"last_name":"Wei","first_name":"Kaya","full_name":"Wei, Kaya"},{"first_name":"Yu","full_name":"Liu, Yu","orcid":"0000-0001-7313-6740","id":"2A70014E-F248-11E8-B48F-1D18A9856A87","last_name":"Liu"},{"last_name":"Zhang","first_name":"Yu","full_name":"Zhang, Yu"},{"last_name":"Li","full_name":"Li, Mengyao","first_name":"Mengyao"},{"first_name":"Aziz","full_name":"Genç, Aziz","last_name":"Genç"},{"first_name":"Taisiia","full_name":"Berestok, Taisiia","last_name":"Berestok"},{"id":"43C61214-F248-11E8-B48F-1D18A9856A87","last_name":"Ibáñez","orcid":"0000-0001-5013-2843","first_name":"Maria","full_name":"Ibáñez, Maria"},{"last_name":"Shavel","first_name":"Alexey","full_name":"Shavel, Alexey"},{"first_name":"George S.","full_name":"Nolas, George S.","last_name":"Nolas"},{"first_name":"Andreu","full_name":"Cabot, Andreu","last_name":"Cabot"}],"isi":1,"quality_controlled":"1","file":[{"file_size":2722517,"creator":"dernst","file_id":"9218","content_type":"application/pdf","success":1,"date_updated":"2021-03-03T07:32:01Z","relation":"main_file","checksum":"76d6c7f97b810ce504ab151c9bf3524e","date_created":"2021-03-03T07:32:01Z","access_level":"open_access","file_name":"2021_Materials_Cadavid.pdf"}],"article_type":"original","pmid":1,"volume":14,"doi":"10.3390/ma14040853","file_date_updated":"2021-03-03T07:32:01Z","citation":{"ama":"Cadavid D, Wei K, Liu Y, et al. Synthesis, bottom up assembly and thermoelectric properties of Sb-doped PbS nanocrystal building blocks. <i>Materials</i>. 2021;14(4). doi:<a href=\"https://doi.org/10.3390/ma14040853\">10.3390/ma14040853</a>","chicago":"Cadavid, Doris, Kaya Wei, Yu Liu, Yu Zhang, Mengyao Li, Aziz Genç, Taisiia Berestok, et al. “Synthesis, Bottom up Assembly and Thermoelectric Properties of Sb-Doped PbS Nanocrystal Building Blocks.” <i>Materials</i>. MDPI, 2021. <a href=\"https://doi.org/10.3390/ma14040853\">https://doi.org/10.3390/ma14040853</a>.","short":"D. Cadavid, K. Wei, Y. Liu, Y. Zhang, M. Li, A. Genç, T. Berestok, M. Ibáñez, A. Shavel, G.S. Nolas, A. Cabot, Materials 14 (2021).","ista":"Cadavid D, Wei K, Liu Y, Zhang Y, Li M, Genç A, Berestok T, Ibáñez M, Shavel A, Nolas GS, Cabot A. 2021. Synthesis, bottom up assembly and thermoelectric properties of Sb-doped PbS nanocrystal building blocks. Materials. 14(4), 853.","ieee":"D. Cadavid <i>et al.</i>, “Synthesis, bottom up assembly and thermoelectric properties of Sb-doped PbS nanocrystal building blocks,” <i>Materials</i>, vol. 14, no. 4. MDPI, 2021.","apa":"Cadavid, D., Wei, K., Liu, Y., Zhang, Y., Li, M., Genç, A., … Cabot, A. (2021). Synthesis, bottom up assembly and thermoelectric properties of Sb-doped PbS nanocrystal building blocks. <i>Materials</i>. MDPI. <a href=\"https://doi.org/10.3390/ma14040853\">https://doi.org/10.3390/ma14040853</a>","mla":"Cadavid, Doris, et al. “Synthesis, Bottom up Assembly and Thermoelectric Properties of Sb-Doped PbS Nanocrystal Building Blocks.” <i>Materials</i>, vol. 14, no. 4, 853, MDPI, 2021, doi:<a href=\"https://doi.org/10.3390/ma14040853\">10.3390/ma14040853</a>."},"abstract":[{"lang":"eng","text":"The precise engineering of thermoelectric materials using nanocrystals as their building blocks has proven to be an excellent strategy to increase energy conversion efficiency. Here we present a synthetic route to produce Sb-doped PbS colloidal nanoparticles. These nanoparticles are then consolidated into nanocrystalline PbS:Sb using spark plasma sintering. We demonstrate that the introduction of Sb significantly influences the size, geometry, crystal lattice and especially the carrier concentration of PbS. The increase of charge carrier concentration achieved with the introduction of Sb translates into an increase of the electrical and thermal conductivities and a decrease of the Seebeck coefficient. Overall, PbS:Sb nanomaterial were characterized by two-fold higher thermoelectric figures of merit than undoped PbS. "}],"publication_identifier":{"eissn":["1996-1944"]},"article_processing_charge":"No","has_accepted_license":"1","department":[{"_id":"MaIb"}],"acknowledgement":"This work was supported by European Regional Development Funds and the Framework 7\r\nprogram under project UNION (FP7-NMP 310250). GSN acknowledges support from the US National Science Foundation under grant No. DMR-1748188. DC acknowledges support from COLCIENCIAS under project 120480863414. ","external_id":{"pmid":["33578981"],"isi":["000624094100001"]},"_id":"9206","publisher":"MDPI","date_updated":"2025-06-12T06:35:03Z","ddc":["540"],"title":"Synthesis, bottom up assembly and thermoelectric properties of Sb-doped PbS nanocrystal building blocks","oa_version":"Published Version","scopus_import":"1","month":"02","language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","article_number":"853"}]