--- _id: '14435' abstract: - lang: eng text: Low‐cost, safe, and environmental‐friendly rechargeable aqueous zinc‐ion batteries (ZIBs) are promising as next‐generation energy storage devices for wearable electronics among other applications. However, sluggish ionic transport kinetics and the unstable electrode structure during ionic insertion/extraction hampers their deployment. Herein,  we propose a new cathode material based on a layered metal chalcogenide (LMC), bismuth telluride (Bi2Te3), coated with polypyrrole (PPy). Taking advantage of the PPy coating, the Bi2Te3@PPy composite presents strong ionic absorption affinity, high oxidation resistance, and high structural stability. The ZIBs based on Bi2Te3@PPy cathodes exhibit high capacities and ultra‐long lifespans of over 5000 cycles. They also present outstanding stability even under bending. In addition,  we analyze here the reaction mechanism using in situ X‐ray diffraction, X‐ray photoelectron spectroscopy, and computational tools and demonstrate that, in the aqueous system, Zn2+ is not inserted into the cathode as previously assumed. In contrast, proton charge storage dominates the process. Overall, this work not only shows the great potential of LMCs as ZIBs cathode materials and the advantages of PPy coating, but also clarifies the charge/discharge mechanism in rechargeable ZIBs based on LMCs. acknowledged_ssus: - _id: EM-Fac acknowledgement: G.Z. and Q.S. contributed equally to this work. This work was supported by the National Natural Science Foundation of China (52105329, 52175300) and the Heilongjiang Provincial Natural Science Foundation of China (LH2022E059). G.Z., X.L., and C.Z. thank the China Scholarship Council (CSC) for the scholarship support. This research was supported by the Scientific Service Units of ISTA through resources provided by the Electron Microscopy Facility. S.H. and M.I. acknowledge funding by ISTA and Werner Siemens. article_number: '2305128' article_processing_charge: No article_type: original author: - first_name: Guifang full_name: Zeng, Guifang last_name: Zeng - first_name: Qing full_name: Sun, Qing last_name: Sun - first_name: Sharona full_name: Horta, Sharona id: 03a7e858-01b1-11ec-8b71-99ae6c4a05bc last_name: Horta - first_name: Shang full_name: Wang, Shang last_name: Wang - first_name: Xuan full_name: Lu, Xuan last_name: Lu - first_name: Chaoyue full_name: Zhang, Chaoyue last_name: Zhang - first_name: Jing full_name: Li, Jing last_name: Li - first_name: Junshan full_name: Li, Junshan last_name: Li - first_name: Lijie full_name: Ci, Lijie last_name: Ci - first_name: Yanhong full_name: Tian, Yanhong last_name: Tian - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: ama: 'Zeng G, Sun Q, Horta S, et al. A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries. Advanced Materials. 2024;36(1). doi:10.1002/adma.202305128' apa: 'Zeng, G., Sun, Q., Horta, S., Wang, S., Lu, X., Zhang, C., … Cabot, A. (2024). A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries. Advanced Materials. Wiley. https://doi.org/10.1002/adma.202305128' chicago: 'Zeng, Guifang, Qing Sun, Sharona Horta, Shang Wang, Xuan Lu, Chaoyue Zhang, Jing Li, et al. “A Layered Bi2Te3@PPy Cathode for Aqueous Zinc Ion Batteries: Mechanism and Application in Printed Flexible Batteries.” Advanced Materials. Wiley, 2024. https://doi.org/10.1002/adma.202305128.' ieee: 'G. Zeng et al., “A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries,” Advanced Materials, vol. 36, no. 1. Wiley, 2024.' ista: 'Zeng G, Sun Q, Horta S, Wang S, Lu X, Zhang C, Li J, Li J, Ci L, Tian Y, Ibáñez M, Cabot A. 2024. A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries. Advanced Materials. 36(1), 2305128.' mla: 'Zeng, Guifang, et al. “A Layered Bi2Te3@PPy Cathode for Aqueous Zinc Ion Batteries: Mechanism and Application in Printed Flexible Batteries.” Advanced Materials, vol. 36, no. 1, 2305128, Wiley, 2024, doi:10.1002/adma.202305128.' short: G. Zeng, Q. Sun, S. Horta, S. Wang, X. Lu, C. Zhang, J. Li, J. Li, L. Ci, Y. Tian, M. Ibáñez, A. Cabot, Advanced Materials 36 (2024). date_created: 2023-10-17T10:53:56Z date_published: 2024-01-04T00:00:00Z date_updated: 2025-04-15T06:36:40Z day: '04' department: - _id: MaIb doi: 10.1002/adma.202305128 external_id: isi: - '001085681000001' pmid: - '37555532' intvolume: ' 36' isi: 1 issue: '1' keyword: - Mechanical Engineering - Mechanics of Materials - General Materials Science language: - iso: eng month: '01' oa_version: None pmid: 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' publication: Advanced Materials publication_identifier: eissn: - 1521-4095 issn: - 0935-9648 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: 'A layered Bi2Te3@PPy cathode for aqueous zinc ion batteries: Mechanism and application in printed flexible batteries' type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 36 year: '2024' ... --- _id: '14733' abstract: - lang: eng text: Redox flow batteries (RFBs) rely on the development of cheap, highly soluble, and high-energy-density electrolytes. Several candidate quinones have already been investigated in the literature as two-electron anolytes or catholytes, benefiting from fast kinetics, high tunability, and low cost. Here, an investigation of nitrogen-rich fused heteroaromatic quinones was carried out to explore avenues for electrolyte development. These quinones were synthesized and screened by using electrochemical techniques. The most promising candidate, 4,8-dioxo-4,8-dihydrobenzo[1,2-d:4,5-d′]bis([1,2,3]triazole)-1,5-diide (−0.68 V(SHE)), was tested in both an asymmetric and symmetric full-cell setup resulting in capacity fade rates of 0.35% per cycle and 0.0124% per cycle, respectively. In situ ultraviolet-visible spectroscopy (UV–Vis), nuclear magnetic resonance (NMR), and electron paramagnetic resonance (EPR) spectroscopies were used to investigate the electrochemical stability of the charged species during operation. UV–Vis spectroscopy, supported by density functional theory (DFT) modeling, reaffirmed that the two-step charging mechanism observed during battery operation consisted of two, single-electron transfers. The radical concentration during battery operation and the degree of delocalization of the unpaired electron were quantified with NMR and EPR spectroscopy. article_processing_charge: Yes (in subscription journal) article_type: original author: - first_name: Rajesh B full_name: Jethwa, Rajesh B id: 4cc538d5-803f-11ed-ab7e-8139573aad8f last_name: Jethwa orcid: 0000-0002-0404-4356 - first_name: Dominic full_name: Hey, Dominic last_name: Hey - first_name: Rachel N. full_name: Kerber, Rachel N. last_name: Kerber - first_name: Andrew D. full_name: Bond, Andrew D. last_name: Bond - first_name: Dominic S. full_name: Wright, Dominic S. last_name: Wright - first_name: Clare P. full_name: Grey, Clare P. last_name: Grey citation: ama: Jethwa RB, Hey D, Kerber RN, Bond AD, Wright DS, Grey CP. Exploring the landscape of heterocyclic quinones for redox flow batteries. ACS Applied Energy Materials. 2024;7(2):414-426. doi:10.1021/acsaem.3c02223 apa: Jethwa, R. B., Hey, D., Kerber, R. N., Bond, A. D., Wright, D. S., & Grey, C. P. (2024). Exploring the landscape of heterocyclic quinones for redox flow batteries. ACS Applied Energy Materials. American Chemical Society. https://doi.org/10.1021/acsaem.3c02223 chicago: Jethwa, Rajesh B, Dominic Hey, Rachel N. Kerber, Andrew D. Bond, Dominic S. Wright, and Clare P. Grey. “Exploring the Landscape of Heterocyclic Quinones for Redox Flow Batteries.” ACS Applied Energy Materials. American Chemical Society, 2024. https://doi.org/10.1021/acsaem.3c02223. ieee: R. B. Jethwa, D. Hey, R. N. Kerber, A. D. Bond, D. S. Wright, and C. P. Grey, “Exploring the landscape of heterocyclic quinones for redox flow batteries,” ACS Applied Energy Materials, vol. 7, no. 2. American Chemical Society, pp. 414–426, 2024. ista: Jethwa RB, Hey D, Kerber RN, Bond AD, Wright DS, Grey CP. 2024. Exploring the landscape of heterocyclic quinones for redox flow batteries. ACS Applied Energy Materials. 7(2), 414–426. mla: Jethwa, Rajesh B., et al. “Exploring the Landscape of Heterocyclic Quinones for Redox Flow Batteries.” ACS Applied Energy Materials, vol. 7, no. 2, American Chemical Society, 2024, pp. 414–26, doi:10.1021/acsaem.3c02223. short: R.B. Jethwa, D. Hey, R.N. Kerber, A.D. Bond, D.S. Wright, C.P. Grey, ACS Applied Energy Materials 7 (2024) 414–426. date_created: 2024-01-05T09:20:48Z date_published: 2024-01-22T00:00:00Z date_updated: 2025-09-04T11:36:32Z day: '22' ddc: - '540' department: - _id: StFr doi: 10.1021/acsaem.3c02223 ec_funded: 1 external_id: isi: - '001146733200001' pmid: - '38273966' file: - access_level: open_access checksum: 2841e86a041d249ac0df2531b7f9aec1 content_type: application/pdf creator: dernst date_created: 2024-07-16T11:59:24Z date_updated: 2024-07-16T11:59:24Z file_id: '17262' file_name: 2024_ACSAppElecMaterials_Jethwa.pdf file_size: 5607177 relation: main_file success: 1 file_date_updated: 2024-07-16T11:59:24Z has_accepted_license: '1' intvolume: ' 7' isi: 1 issue: '2' keyword: - Electrical and Electronic Engineering - Materials Chemistry - Electrochemistry - Energy Engineering and Power Technology - Chemical Engineering (miscellaneous) language: - iso: eng license: https://creativecommons.org/licenses/by/4.0/ main_file_link: - open_access: '1' url: https://doi.org/10.1021/acsaem.3c02223 month: '01' oa: 1 oa_version: Published Version page: 414-426 pmid: 1 project: - _id: fc2ed2f7-9c52-11eb-aca3-c01059dda49c call_identifier: H2020 grant_number: '101034413' name: 'IST-BRIDGE: International postdoctoral program' publication: ACS Applied Energy Materials publication_identifier: eissn: - 2574-0962 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Exploring the landscape of heterocyclic quinones for redox flow batteries tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345 volume: 7 year: '2024' ... --- APC_amount: 3393,38 EUR DOAJ_listed: '1' OA_place: publisher OA_type: gold _id: '14802' abstract: - lang: eng text: Frequency-stable lasers form the back bone of precision measurements in science and technology. Such lasers typically attain their stability through frequency locking to reference cavities. State-of-the-art locking performances to date had been achieved using frequency modulation based methods, complemented with active drift cancellation systems. We demonstrate an all passive, modulation-free laser-cavity locking technique (squash locking) that utilizes changes in spatial beam ellipticity for error signal generation, and a coherent polarization post-selection for noise resilience. By comparing two identically built proof-of-principle systems, we show a frequency locking instability of 5×10−7 relative to the cavity linewidth at 10 s averaging. The results surpass the demonstrated performances of methods engineered over the last five decades, potentially enabling an advancement in the precision control of lasers, while creating avenues for bridging the performance gaps between industrial grade lasers with scientific ones due to the afforded simplicity and scalability. acknowledgement: We thank Rishabh Sahu and Sebastian Wald for technical contributions to the experiment. Funding by Institute of Science and Technology Austria. article_processing_charge: Yes article_type: original author: - first_name: Fritz R full_name: Diorico, Fritz R id: 2E054C4C-F248-11E8-B48F-1D18A9856A87 last_name: Diorico orcid: 0000-0002-4947-8924 - first_name: Artem full_name: Zhutov, Artem id: 0f02ed6a-b514-11ee-b891-8379c5f19cb7 last_name: Zhutov - first_name: Onur full_name: Hosten, Onur id: 4C02D85E-F248-11E8-B48F-1D18A9856A87 last_name: Hosten orcid: 0000-0002-2031-204X citation: ama: 'Diorico FR, Zhutov A, Hosten O. Laser-cavity locking utilizing beam ellipticity: accessing the 10−7 instability scale relative to cavity linewidth. Optica. 2024;11(1):26-31. doi:10.1364/optica.507451' apa: 'Diorico, F. R., Zhutov, A., & Hosten, O. (2024). Laser-cavity locking utilizing beam ellipticity: accessing the 10−7 instability scale relative to cavity linewidth. Optica. Optica Publishing Group. https://doi.org/10.1364/optica.507451' chicago: 'Diorico, Fritz R, Artem Zhutov, and Onur Hosten. “Laser-Cavity Locking Utilizing Beam Ellipticity: Accessing the 10−7 Instability Scale Relative to Cavity Linewidth.” Optica. Optica Publishing Group, 2024. https://doi.org/10.1364/optica.507451.' ieee: 'F. R. Diorico, A. Zhutov, and O. Hosten, “Laser-cavity locking utilizing beam ellipticity: accessing the 10−7 instability scale relative to cavity linewidth,” Optica, vol. 11, no. 1. Optica Publishing Group, pp. 26–31, 2024.' ista: 'Diorico FR, Zhutov A, Hosten O. 2024. Laser-cavity locking utilizing beam ellipticity: accessing the 10−7 instability scale relative to cavity linewidth. Optica. 11(1), 26–31.' mla: 'Diorico, Fritz R., et al. “Laser-Cavity Locking Utilizing Beam Ellipticity: Accessing the 10−7 Instability Scale Relative to Cavity Linewidth.” Optica, vol. 11, no. 1, Optica Publishing Group, 2024, pp. 26–31, doi:10.1364/optica.507451.' short: F.R. Diorico, A. Zhutov, O. Hosten, Optica 11 (2024) 26–31. corr_author: '1' date_created: 2024-01-15T10:25:38Z date_published: 2024-01-20T00:00:00Z date_updated: 2025-09-04T12:13:27Z day: '20' ddc: - '530' department: - _id: OnHo doi: 10.1364/optica.507451 external_id: isi: - '001202817000004' file: - access_level: open_access checksum: eb99ca7d0fe73e22f121875175546ed7 content_type: application/pdf creator: dernst date_created: 2024-01-17T08:53:16Z date_updated: 2024-01-17T08:53:16Z file_id: '14824' file_name: 2023_Optica_Diorico.pdf file_size: 4558986 relation: main_file success: 1 file_date_updated: 2024-01-17T08:53:16Z has_accepted_license: '1' intvolume: ' 11' isi: 1 issue: '1' keyword: - Atomic and Molecular Physics - and Optics - Electronic - Optical and Magnetic Materials language: - iso: eng month: '01' oa: 1 oa_version: Published Version page: 26-31 publication: Optica publication_identifier: issn: - 2334-2536 publication_status: published publisher: Optica Publishing Group quality_controlled: '1' scopus_import: '1' status: public title: 'Laser-cavity locking utilizing beam ellipticity: accessing the 10−7 instability scale relative to cavity linewidth' tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 317138e5-6ab7-11ef-aa6d-ffef3953e345 volume: 11 year: '2024' ... --- _id: '14828' abstract: - lang: eng text: Production of hydrogen at large scale requires development of non-noble, inexpensive, and high-performing catalysts for constructing water-splitting devices. Herein, we report the synthesis of Zn-doped NiO heterostructure (ZnNiO) catalysts at room temperature via a coprecipitation method followed by drying (at 80 °C, 6 h) and calcination at an elevated temperature of 400 °C for 5 h under three distinct conditions, namely, air, N2, and vacuum. The vacuum-synthesized catalyst demonstrates a low overpotential of 88 mV at −10 mA cm–2 and a small Tafel slope of 73 mV dec–1 suggesting relatively higher charge transfer kinetics for hydrogen evolution reactions (HER) compared with the specimens synthesized under N2 or O2 atmosphere. It also demonstrates an oxygen evolution (OER) overpotential of 260 mV at 10 mA cm–2 with a low Tafel slope of 63 mV dec–1. In a full-cell water-splitting device, the vacuum-synthesized ZnNiO heterostructure demonstrates a cell voltage of 1.94 V at 50 mA cm–2 and shows remarkable stability over 24 h at a high current density of 100 mA cm–2. It is also demonstrated in this study that Zn-doping, surface, and interface engineering in transition-metal oxides play a crucial role in efficient electrocatalytic water splitting. Also, the results obtained from density functional theory (DFT + U = 0–8 eV), where U is the on-site Coulomb repulsion parameter also known as Hubbard U, based electronic structure calculations confirm that Zn doping constructively modifies the electronic structure, in both the valence band and the conduction band, and found to be suitable in tailoring the carrier’s effective masses of electrons and holes. The decrease in electron’s effective masses together with large differences between the effective masses of electrons and holes is noticed, which is found to be mainly responsible for achieving the best water-splitting performance from a 9% Zn-doped NiO sample prepared under vacuum. acknowledgement: This work was supported by the Technology Innovation Program (20011622, Development of Battery System Applied High-Efficiency Heat Control Polymer and Part Component) funded by the Ministry of Trade, Industry & Energy (MOTIE, Korea). Author acknowledge to Prof. Tsunehiro Takeuchi from Toyota Technological Institute, Nagoya, Japan for the support of computational resources. article_processing_charge: No article_type: original author: - first_name: Gundegowda Kalligowdanadoddi full_name: Kiran, Gundegowda Kalligowdanadoddi last_name: Kiran - first_name: Saurabh full_name: Singh, Saurabh id: 12d625da-9cb3-11ed-9667-af09d37d3f0a last_name: Singh orcid: 0000-0003-2209-5269 - first_name: Neelima full_name: Mahato, Neelima last_name: Mahato - first_name: Thupakula Venkata Madhukar full_name: Sreekanth, Thupakula Venkata Madhukar last_name: Sreekanth - first_name: Gowra Raghupathy full_name: Dillip, Gowra Raghupathy last_name: Dillip - first_name: Kisoo full_name: Yoo, Kisoo last_name: Yoo - first_name: Jonghoon full_name: Kim, Jonghoon last_name: Kim citation: ama: Kiran GK, Singh S, Mahato N, et al. Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity. ACS Applied Energy Materials. 2024;7(1):214-229. doi:10.1021/acsaem.3c02519 apa: Kiran, G. K., Singh, S., Mahato, N., Sreekanth, T. V. M., Dillip, G. R., Yoo, K., & Kim, J. (2024). Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity. ACS Applied Energy Materials. American Chemical Society. https://doi.org/10.1021/acsaem.3c02519 chicago: Kiran, Gundegowda Kalligowdanadoddi, Saurabh Singh, Neelima Mahato, Thupakula Venkata Madhukar Sreekanth, Gowra Raghupathy Dillip, Kisoo Yoo, and Jonghoon Kim. “Interface Engineering Modulation Combined with Electronic Structure Modification of Zn-Doped NiO Heterostructure for Efficient Water-Splitting Activity.” ACS Applied Energy Materials. American Chemical Society, 2024. https://doi.org/10.1021/acsaem.3c02519. ieee: G. K. Kiran et al., “Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity,” ACS Applied Energy Materials, vol. 7, no. 1. American Chemical Society, pp. 214–229, 2024. ista: Kiran GK, Singh S, Mahato N, Sreekanth TVM, Dillip GR, Yoo K, Kim J. 2024. Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity. ACS Applied Energy Materials. 7(1), 214–229. mla: Kiran, Gundegowda Kalligowdanadoddi, et al. “Interface Engineering Modulation Combined with Electronic Structure Modification of Zn-Doped NiO Heterostructure for Efficient Water-Splitting Activity.” ACS Applied Energy Materials, vol. 7, no. 1, American Chemical Society, 2024, pp. 214–29, doi:10.1021/acsaem.3c02519. short: G.K. Kiran, S. Singh, N. Mahato, T.V.M. Sreekanth, G.R. Dillip, K. Yoo, J. Kim, ACS Applied Energy Materials 7 (2024) 214–229. corr_author: '1' date_created: 2024-01-17T12:48:35Z date_published: 2024-01-08T00:00:00Z date_updated: 2024-10-09T21:07:53Z day: '08' department: - _id: MaIb doi: 10.1021/acsaem.3c02519 external_id: isi: - '001138342900001' intvolume: ' 7' isi: 1 issue: '1' keyword: - Electrical and Electronic Engineering - Materials Chemistry - Electrochemistry - Energy Engineering and Power Technology - Chemical Engineering (miscellaneous) language: - iso: eng month: '01' oa_version: None page: 214-229 publication: ACS Applied Energy Materials publication_identifier: issn: - 2574-0962 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Interface engineering modulation combined with electronic structure modification of Zn-doped NiO heterostructure for efficient water-splitting activity type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 7 year: '2024' ... --- OA_place: publisher OA_type: hybrid _id: '15018' abstract: - lang: eng text: The epitaxial growth of a strained Ge layer, which is a promising candidate for the channel material of a hole spin qubit, has been demonstrated on 300 mm Si wafers using commercially available Si0.3Ge0.7 strain relaxed buffer (SRB) layers. The assessment of the layer and the interface qualities for a buried strained Ge layer embedded in Si0.3Ge0.7 layers is reported. The XRD reciprocal space mapping confirmed that the reduction of the growth temperature enables the 2-dimensional growth of the Ge layer fully strained with respect to the Si0.3Ge0.7. Nevertheless, dislocations at the top and/or bottom interface of the Ge layer were observed by means of electron channeling contrast imaging, suggesting the importance of the careful dislocation assessment. The interface abruptness does not depend on the selection of the precursor gases, but it is strongly influenced by the growth temperature which affects the coverage of the surface H-passivation. The mobility of 2.7 × 105 cm2/Vs is promising, while the low percolation density of 3 × 1010 /cm2 measured with a Hall-bar device at 7 K illustrates the high quality of the heterostructure thanks to the high Si0.3Ge0.7 SRB quality. acknowledgement: The Ge project received funding from the European Union's Horizon Europe programme under the Grant Agreement 101069515 – IGNITE. Siltronic AG is acknowledged for providing the SRB wafers. This work was supported by Imec's Industrial Affiliation Program on Quantum Computing. article_number: '108231' article_processing_charge: Yes (in subscription journal) article_type: original author: - first_name: Yosuke full_name: Shimura, Yosuke last_name: Shimura - first_name: Clement full_name: Godfrin, Clement last_name: Godfrin - first_name: Andriy full_name: Hikavyy, Andriy last_name: Hikavyy - first_name: Roy full_name: Li, Roy last_name: Li - first_name: Juan L full_name: Aguilera Servin, Juan L id: 2A67C376-F248-11E8-B48F-1D18A9856A87 last_name: Aguilera Servin orcid: 0000-0002-2862-8372 - first_name: Georgios full_name: Katsaros, Georgios id: 38DB5788-F248-11E8-B48F-1D18A9856A87 last_name: Katsaros orcid: 0000-0001-8342-202X - first_name: Paola full_name: Favia, Paola last_name: Favia - first_name: Han full_name: Han, Han last_name: Han - first_name: Danny full_name: Wan, Danny last_name: Wan - first_name: Kristiaan full_name: de Greve, Kristiaan last_name: de Greve - first_name: Roger full_name: Loo, Roger last_name: Loo citation: ama: Shimura Y, Godfrin C, Hikavyy A, et al. Compressively strained epitaxial Ge layers for quantum computing applications. Materials Science in Semiconductor Processing. 2024;174(5). doi:10.1016/j.mssp.2024.108231 apa: Shimura, Y., Godfrin, C., Hikavyy, A., Li, R., Aguilera Servin, J. L., Katsaros, G., … Loo, R. (2024). Compressively strained epitaxial Ge layers for quantum computing applications. Materials Science in Semiconductor Processing. Elsevier. https://doi.org/10.1016/j.mssp.2024.108231 chicago: Shimura, Yosuke, Clement Godfrin, Andriy Hikavyy, Roy Li, Juan L Aguilera Servin, Georgios Katsaros, Paola Favia, et al. “Compressively Strained Epitaxial Ge Layers for Quantum Computing Applications.” Materials Science in Semiconductor Processing. Elsevier, 2024. https://doi.org/10.1016/j.mssp.2024.108231. ieee: Y. Shimura et al., “Compressively strained epitaxial Ge layers for quantum computing applications,” Materials Science in Semiconductor Processing, vol. 174, no. 5. Elsevier, 2024. ista: Shimura Y, Godfrin C, Hikavyy A, Li R, Aguilera Servin JL, Katsaros G, Favia P, Han H, Wan D, de Greve K, Loo R. 2024. Compressively strained epitaxial Ge layers for quantum computing applications. Materials Science in Semiconductor Processing. 174(5), 108231. mla: Shimura, Yosuke, et al. “Compressively Strained Epitaxial Ge Layers for Quantum Computing Applications.” Materials Science in Semiconductor Processing, vol. 174, no. 5, 108231, Elsevier, 2024, doi:10.1016/j.mssp.2024.108231. short: Y. Shimura, C. Godfrin, A. Hikavyy, R. Li, J.L. Aguilera Servin, G. Katsaros, P. Favia, H. Han, D. Wan, K. de Greve, R. Loo, Materials Science in Semiconductor Processing 174 (2024). date_created: 2024-02-22T14:10:40Z date_published: 2024-05-20T00:00:00Z date_updated: 2025-04-14T08:01:27Z day: '20' ddc: - '530' department: - _id: GeKa - _id: NanoFab doi: 10.1016/j.mssp.2024.108231 external_id: isi: - '001188520000001' file: - access_level: open_access checksum: 62e8e9ae960387a3dca32ec7f5e413ab content_type: application/pdf creator: dernst date_created: 2024-07-22T11:56:08Z date_updated: 2024-07-22T11:56:08Z file_id: '17312' file_name: 2024_MaterialsScience_Shimura.pdf file_size: 4220165 relation: main_file success: 1 file_date_updated: 2024-07-22T11:56:08Z has_accepted_license: '1' intvolume: ' 174' isi: 1 issue: '5' keyword: - Mechanical Engineering - Mechanics of Materials - Condensed Matter Physics - General Materials Science language: - iso: eng month: '05' oa: 1 oa_version: Published Version project: - _id: 34c0acea-11ca-11ed-8bc3-8775e10fd452 grant_number: '101069515' name: Integrated Germanium Quantum Technology publication: Materials Science in Semiconductor Processing publication_identifier: issn: - 1369-8001 publication_status: published publisher: Elsevier quality_controlled: '1' scopus_import: '1' status: public title: Compressively strained epitaxial Ge layers for quantum computing applications tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 174 year: '2024' ... --- OA_place: publisher _id: '18667' abstract: - lang: eng text: "Many chemical and physical properties of materials are determined by the material’s shape,\r\nfor example the size of its pores and the width of its tunnels. This makes materials science\r\na prime application area for geometrical and topological methods. Nevertheless many\r\nmethods in topological data analysis have not been satisfyingly extended to the needs of\r\nmaterials science. This thesis provides new methods and new mathematical theorems\r\ntargeted at those specific needs by answering four different research questions. While the\r\nmotivation for each of the research questions arises from materials science, the methods\r\nare versatile and can be applied in different areas as well. \r\n\r\nThe first research question is concerned with image data, for example a three-dimensional\r\ncomputed tomography (CT) scan of a material, like sand or stone. There are two commonly\r\nused topologies for digital images and depending on the application either of them might be\r\nrequired. However, software for computing the topological data analysis method persistence\r\nhomology, usually supports only one of the two topologies. We answer the question how to\r\ncompute persistent homology of an image with respect to one of the two topologies using\r\nsoftware that is intended for the other topology. \r\n\r\nThe second research question is concerned with image data as well, and asks how much\r\nof the topological information of an image is lost when the resolution is coarsened. As\r\ncomputer tomography scanners are more expensive the higher the resolution, it is an\r\nimportant question in materials science to know which resolution is enough to get satisfying\r\npersistent homology. We give theoretical bounds on the information loss based on different\r\ngeometrical properties of the object to be scanned. In addition, we conduct experiments on\r\nsand and stone CT image data. \r\n\r\nThe third research question is motivated by comparing crystalline materials efficiently. As\r\nthe atoms within a crystal repeat periodically, crystalline materials are either modeled by\r\nunmanageable infinite periodic point sets, or by one of their fundamental domains, which is\r\nunstable under perturbation. Therefore a fingerprint of crystalline materials is needed, with\r\nappropriate properties such that comparing the crystals can be eased by comparing the\r\nfingerprints instead. We define the density fingerprint and prove the necessary properties. \r\n\r\nThe fourth research question is motivated by studying the hole-structure or connectedness,\r\ni.e. persistent homology or merge trees, of crystalline materials. A common way to deal\r\nwith periodicity is to take a fundamental domain and identify opposite boundaries to form a\r\ntorus. However, computing persistent homology or merge trees on that torus loses some\r\nof the information materials scientists are interested in and is additionally not stable under\r\ncertain noise. We therefore decorate the merge tree stemming from the torus with additional\r\ninformation describing the density and growth rate of the periodic copies of a component\r\nwithin a growing spherical window. We prove all desired properties, like stability and efficient\r\ncomputability." acknowledgement: "I was supported by the European Research Council (ERC) Horizon 2020 project\r\n“Alpha Shape Theory Extended” No. 788183 and by the Pöttinger Scholarship. In addition,\r\nI am very thankful for having been able to attend the second Workshop for Women in\r\nComputational Topology in July 2019, funded by the Mathematical Sciences Institute at\r\nANU, the US National Science Foundation through the award CCF-1841455, the Australian\r\nMathematical Sciences Institute and the Association for Women in Mathematics. Two of the\r\nprojects presented in this thesis started there. One of them reached completion thanks to\r\nfunding from the MSRI Summer Research in Mathematics program awarded to me and my\r\ncollaborators in 2020." alternative_title: - ISTA Thesis article_processing_charge: No author: - first_name: Teresa full_name: Heiss, Teresa id: 4879BB4E-F248-11E8-B48F-1D18A9856A87 last_name: Heiss orcid: 0000-0002-1780-2689 citation: ama: Heiss T. New methods for applying topological data analysis to materials science. 2024. doi:10.15479/at:ista:18667 apa: Heiss, T. (2024). New methods for applying topological data analysis to materials science. Institute of Science and Technology Austria. https://doi.org/10.15479/at:ista:18667 chicago: Heiss, Teresa. “New Methods for Applying Topological Data Analysis to Materials Science.” Institute of Science and Technology Austria, 2024. https://doi.org/10.15479/at:ista:18667. ieee: T. Heiss, “New methods for applying topological data analysis to materials science,” Institute of Science and Technology Austria, 2024. ista: Heiss T. 2024. New methods for applying topological data analysis to materials science. Institute of Science and Technology Austria. mla: Heiss, Teresa. New Methods for Applying Topological Data Analysis to Materials Science. Institute of Science and Technology Austria, 2024, doi:10.15479/at:ista:18667. short: T. Heiss, New Methods for Applying Topological Data Analysis to Materials Science, Institute of Science and Technology Austria, 2024. corr_author: '1' date_created: 2024-12-17T16:17:55Z date_published: 2024-12-17T00:00:00Z date_updated: 2026-04-07T12:54:10Z day: '17' ddc: - '514' - '516' - '004' degree_awarded: PhD department: - _id: GradSch - _id: HeEd doi: 10.15479/at:ista:18667 ec_funded: 1 file: - access_level: open_access checksum: 247bb057aed2fba1cd4711917aaa2d77 content_type: application/pdf creator: theiss date_created: 2024-12-19T10:24:46Z date_updated: 2024-12-19T10:24:46Z file_id: '18686' file_name: Teresa_Heiss_PhD_Thesis_final.pdf file_size: 7752253 relation: main_file success: 1 - access_level: closed checksum: 9648b45c07a008ee11a07f99856a139d content_type: application/zip creator: theiss date_created: 2024-12-19T10:24:50Z date_updated: 2024-12-19T10:24:50Z file_id: '18687' file_name: PhD_Thesis.zip file_size: 17197731 relation: source_file file_date_updated: 2024-12-19T10:24:50Z has_accepted_license: '1' keyword: - persistent homology - topological data analysis - periodic - crystalline materials - images - fingerprint language: - iso: eng month: '12' oa: 1 oa_version: Published Version page: '111' project: - _id: 266A2E9E-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '788183' name: Alpha Shape Theory Extended publication_identifier: isbn: - 978-3-99078-052-7 issn: - 2663-337X publication_status: published publisher: Institute of Science and Technology Austria related_material: record: - id: '10828' relation: part_of_dissertation status: public - id: '11440' relation: part_of_dissertation status: public - id: '18673' relation: part_of_dissertation status: public - id: '9345' relation: part_of_dissertation status: public status: public supervisor: - first_name: Herbert full_name: Edelsbrunner, Herbert id: 3FB178DA-F248-11E8-B48F-1D18A9856A87 last_name: Edelsbrunner orcid: 0000-0002-9823-6833 title: New methods for applying topological data analysis to materials science tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: dissertation user_id: ba8df636-2132-11f1-aed0-ed93e2281fdd year: '2024' ... --- _id: '13988' abstract: - lang: eng text: Most permissionless blockchains inherently suffer from throughput limitations. Layer-2 systems, such as side-chains or Rollups, have been proposed as a possible strategy to overcome this limitation. Layer-2 systems interact with the main-chain in two ways. First, users can move funds from/to the main-chain to/from the layer-2. Second, layer-2 systems periodically synchronize with the main-chain to keep some form of log of their activity on the main-chain - this log is key for security. Due to this interaction with the main-chain, which is necessary and recurrent, layer-2 systems impose some load on the main-chain. The impact of such load on the main-chain has been, so far, poorly understood. In addition to that, layer-2 approaches typically sacrifice decentralization and security in favor of higher throughput. This paper presents an experimental study that analyzes the current state of Ethereum layer-2 projects. Our goal is to assess the load they impose on Ethereum and to understand their scalability potential in the long-run. Our analysis shows that the impact of any given layer-2 on the main-chain is the result of both technical aspects (how state is logged on the main-chain) and user behavior (how often users decide to transfer funds between the layer-2 and the main-chain). Based on our observations, we infer that without efficient mechanisms that allow users to transfer funds in a secure and fast manner directly from one layer-2 project to another, current layer-2 systems will not be able to scale Ethereum effectively, regardless of their technical solutions. Furthermore, from our results, we conclude that the layer-2 systems that offer similar security guarantees as Ethereum have limited scalability potential, while approaches that offer better performance, sacrifice security and lead to an increase in centralization which runs against the end-goals of permissionless blockchains. acknowledgement: This work was supported in part by the Coordenação de Aperfeiçoamento de Pessoal de Nivel Superior (CAPES)—Brazil (CAPES), in part by the Fundação para a Ciência e Tecnologia (FCT) under Project UIDB/50021/2020 and Grant 2020.05270.BD, in part by the Project COSMOS (via the Orçamento de Estado (OE) with ref. PTDC/EEI-COM/29271/2017 and via the ‘‘Programa Operacional Regional de Lisboa na sua componente Fundo Europeu de Desenvolvimento Regional (FEDER)’’ with ref. Lisboa-01-0145-FEDER-029271), and in part by the project Angainor with reference LISBOA-01-0145-FEDER-031456 as well as supported by Meta Platforms for the project key Transparency at Scale. article_processing_charge: Yes article_type: original author: - first_name: Ray full_name: Neiheiser, Ray id: f09651b9-fec0-11ec-b5d8-934aff0e52a4 last_name: Neiheiser orcid: 0000-0001-7227-8309 - first_name: Gustavo full_name: Inacio, Gustavo last_name: Inacio - first_name: Luciana full_name: Rech, Luciana last_name: Rech - first_name: Carlos full_name: Montez, Carlos last_name: Montez - first_name: Miguel full_name: Matos, Miguel last_name: Matos - first_name: Luis full_name: Rodrigues, Luis last_name: Rodrigues citation: ama: Neiheiser R, Inacio G, Rech L, Montez C, Matos M, Rodrigues L. Practical limitations of Ethereum’s layer-2. IEEE Access. 2023;11:8651-8662. doi:10.1109/access.2023.3237897 apa: Neiheiser, R., Inacio, G., Rech, L., Montez, C., Matos, M., & Rodrigues, L. (2023). Practical limitations of Ethereum’s layer-2. IEEE Access. Institute of Electrical and Electronics Engineers. https://doi.org/10.1109/access.2023.3237897 chicago: Neiheiser, Ray, Gustavo Inacio, Luciana Rech, Carlos Montez, Miguel Matos, and Luis Rodrigues. “Practical Limitations of Ethereum’s Layer-2.” IEEE Access. Institute of Electrical and Electronics Engineers, 2023. https://doi.org/10.1109/access.2023.3237897. ieee: R. Neiheiser, G. Inacio, L. Rech, C. Montez, M. Matos, and L. Rodrigues, “Practical limitations of Ethereum’s layer-2,” IEEE Access, vol. 11. Institute of Electrical and Electronics Engineers, pp. 8651–8662, 2023. ista: Neiheiser R, Inacio G, Rech L, Montez C, Matos M, Rodrigues L. 2023. Practical limitations of Ethereum’s layer-2. IEEE Access. 11, 8651–8662. mla: Neiheiser, Ray, et al. “Practical Limitations of Ethereum’s Layer-2.” IEEE Access, vol. 11, Institute of Electrical and Electronics Engineers, 2023, pp. 8651–62, doi:10.1109/access.2023.3237897. short: R. Neiheiser, G. Inacio, L. Rech, C. Montez, M. Matos, L. Rodrigues, IEEE Access 11 (2023) 8651–8662. corr_author: '1' date_created: 2023-08-09T12:09:57Z date_published: 2023-08-01T00:00:00Z date_updated: 2024-10-09T21:06:38Z day: '01' ddc: - '000' department: - _id: ElKo doi: 10.1109/access.2023.3237897 external_id: isi: - '000927831000001' file: - access_level: open_access checksum: 4b80b0ff212edf7e5842fbdd53784432 content_type: application/pdf creator: dernst date_created: 2023-08-22T06:37:48Z date_updated: 2023-08-22T06:37:48Z file_id: '14166' file_name: 2023_IEEEAccess_Neiheiser.pdf file_size: 1289285 relation: main_file success: 1 file_date_updated: 2023-08-22T06:37:48Z has_accepted_license: '1' intvolume: ' 11' isi: 1 keyword: - General Engineering - General Materials Science - General Computer Science - Electrical and Electronic Engineering language: - iso: eng month: '08' oa: 1 oa_version: Published Version page: 8651-8662 publication: IEEE Access publication_identifier: issn: - 2169-3536 publication_status: published publisher: Institute of Electrical and Electronics Engineers quality_controlled: '1' scopus_import: '1' status: public title: Practical limitations of Ethereum’s layer-2 tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 11 year: '2023' ... --- _id: '14434' abstract: - lang: eng text: High entropy alloys (HEAs) are highly suitable candidate catalysts for oxygen evolution and reduction reactions (OER/ORR) as they offer numerous parameters for optimizing the electronic structure and catalytic sites. Herein, FeCoNiMoW HEA nanoparticles are synthesized using a solution‐based low‐temperature approach. Such FeCoNiMoW nanoparticles show high entropy properties, subtle lattice distortions, and modulated electronic structure, leading to superior OER performance with an overpotential of 233 mV at 10 mA cm−2 and 276 mV at 100 mA cm−2. Density functional theory calculations reveal the electronic structures of the FeCoNiMoW active sites with an optimized d‐band center position that enables suitable adsorption of OOH* intermediates and reduces the Gibbs free energy barrier in the OER process. Aqueous zinc–air batteries (ZABs) based on this HEA demonstrate a high open circuit potential of 1.59 V, a peak power density of 116.9 mW cm−2, a specific capacity of 857 mAh gZn−1, and excellent stability for over 660 h of continuous charge–discharge cycles. Flexible and solid ZABs are also assembled and tested, displaying excellent charge–discharge performance at different bending angles. This work shows the significance of 4d/5d metal‐modulated electronic structure and optimized adsorption ability to improve the performance of OER/ORR, ZABs, and beyond. acknowledged_ssus: - _id: EM-Fac acknowledgement: The authors acknowledge funding from Generalitat de Catalunya 2021 SGR 01581; the project COMBENERGY, PID2019-105490RB-C32, from the Spanish Ministerio de Ciencia e Innovación; the National Natural Science Foundation of China (22102002); the Anhui Provincial Natural Science Foundation (2108085QE192); Zhejiang Province key research and development project (2023C01191); the Foundation of State Key Laboratory of High-efficiency Utilization of Coal and Green Chemical Engineering (GrantNo.2022-K31); and The Key Research and Development Program of Hebei Province (20314305D). IREC is funded by the CERCA Programme from the Generalitat de Catalunya. L.L.Y. thanks the China Scholarship Council (CSC) for the scholarship support (202008130132). This research was supported by the Scientific Service Units (SSU) of ISTA (Institute of Science and Technology Austria) through resources provided by the Electron Microscopy Facility (EMF). S.L., S.H., and M.I. acknowledge funding by ISTA and the Werner Siemens. article_number: '2303719' article_processing_charge: No article_type: original author: - first_name: Ren full_name: He, Ren last_name: He - first_name: Linlin full_name: Yang, Linlin last_name: Yang - first_name: Yu full_name: Zhang, Yu last_name: Zhang - first_name: Daochuan full_name: Jiang, Daochuan last_name: Jiang - first_name: Seungho full_name: Lee, Seungho id: BB243B88-D767-11E9-B658-BC13E6697425 last_name: Lee orcid: 0000-0002-6962-8598 - first_name: Sharona full_name: Horta, Sharona id: 03a7e858-01b1-11ec-8b71-99ae6c4a05bc last_name: Horta - first_name: Zhifu full_name: Liang, Zhifu last_name: Liang - first_name: Xuan full_name: Lu, Xuan last_name: Lu - first_name: Ahmad full_name: Ostovari Moghaddam, Ahmad last_name: Ostovari Moghaddam - first_name: Junshan full_name: Li, Junshan last_name: Li - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Ying full_name: Xu, Ying last_name: Xu - first_name: Yingtang full_name: Zhou, Yingtang last_name: Zhou - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: ama: He R, Yang L, Zhang Y, et al. A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries. Advanced Materials. 2023;35(46). doi:10.1002/adma.202303719 apa: He, R., Yang, L., Zhang, Y., Jiang, D., Lee, S., Horta, S., … Cabot, A. (2023). A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries. Advanced Materials. Wiley. https://doi.org/10.1002/adma.202303719 chicago: He, Ren, Linlin Yang, Yu Zhang, Daochuan Jiang, Seungho Lee, Sharona Horta, Zhifu Liang, et al. “A 3d‐4d‐5d High Entropy Alloy as a Bifunctional Oxygen Catalyst for Robust Aqueous Zinc–Air Batteries.” Advanced Materials. Wiley, 2023. https://doi.org/10.1002/adma.202303719. ieee: R. He et al., “A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries,” Advanced Materials, vol. 35, no. 46. Wiley, 2023. ista: He R, Yang L, Zhang Y, Jiang D, Lee S, Horta S, Liang Z, Lu X, Ostovari Moghaddam A, Li J, Ibáñez M, Xu Y, Zhou Y, Cabot A. 2023. A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries. Advanced Materials. 35(46), 2303719. mla: He, Ren, et al. “A 3d‐4d‐5d High Entropy Alloy as a Bifunctional Oxygen Catalyst for Robust Aqueous Zinc–Air Batteries.” Advanced Materials, vol. 35, no. 46, 2303719, Wiley, 2023, doi:10.1002/adma.202303719. short: R. He, L. Yang, Y. Zhang, D. Jiang, S. Lee, S. Horta, Z. Liang, X. Lu, A. Ostovari Moghaddam, J. Li, M. Ibáñez, Y. Xu, Y. Zhou, A. Cabot, Advanced Materials 35 (2023). date_created: 2023-10-17T10:52:23Z date_published: 2023-11-16T00:00:00Z date_updated: 2025-04-15T06:36:40Z day: '16' department: - _id: MaIb doi: 10.1002/adma.202303719 external_id: isi: - '001083876900001' pmid: - '37487245' intvolume: ' 35' isi: 1 issue: '46' keyword: - Mechanical Engineering - Mechanics of Materials - General Materials Science language: - iso: eng month: '11' oa_version: None pmid: 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' publication: Advanced Materials publication_identifier: eissn: - 1521-4095 issn: - 0935-9648 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: A 3d‐4d‐5d high entropy alloy as a bifunctional oxygen catalyst for robust aqueous zinc–air batteries type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 35 year: '2023' ... --- _id: '12697' abstract: - lang: eng text: Models for same-material contact electrification in granular media often rely on a local charge-driving parameter whose spatial variations lead to a stochastic origin for charge exchange. Measuring the charge transfer from individual granular spheres after contacts with substrates of the same material, we find instead a “global” charging behavior, coherent over the sample’s whole surface. Cleaning and baking samples fully resets charging magnitude and direction, which indicates the underlying global parameter is not intrinsic to the material, but acquired from its history. Charging behavior is randomly and irreversibly affected by changes in relative humidity, hinting at a mechanism where adsorbates, in particular, water, are fundamental to the charge-transfer process. acknowledgement: "We would like to thank Troy Shinbrot, Victor Lee and Daniele Foresti for helpful discussions. This project has received funding from the European Research Council Grant Agreement No. 949120 and from the the Marie Sk lodowska-Curie Grant Agreement No. 754411 under\r\nthe European Union’s Horizon 2020 research and innovation program." article_number: '098202' article_processing_charge: No article_type: original arxiv: 1 author: - first_name: Galien M full_name: Grosjean, Galien M id: 0C5FDA4A-9CF6-11E9-8939-FF05E6697425 last_name: Grosjean orcid: 0000-0001-5154-417X - first_name: Scott R full_name: Waitukaitis, Scott R id: 3A1FFC16-F248-11E8-B48F-1D18A9856A87 last_name: Waitukaitis orcid: 0000-0002-2299-3176 citation: ama: Grosjean GM, Waitukaitis SR. Single-collision statistics reveal a global mechanism driven by sample history for contact electrification in granular media. Physical Review Letters. 2023;130(9). doi:10.1103/physrevlett.130.098202 apa: Grosjean, G. M., & Waitukaitis, S. R. (2023). Single-collision statistics reveal a global mechanism driven by sample history for contact electrification in granular media. Physical Review Letters. American Physical Society. https://doi.org/10.1103/physrevlett.130.098202 chicago: Grosjean, Galien M, and Scott R Waitukaitis. “Single-Collision Statistics Reveal a Global Mechanism Driven by Sample History for Contact Electrification in Granular Media.” Physical Review Letters. American Physical Society, 2023. https://doi.org/10.1103/physrevlett.130.098202. ieee: G. M. Grosjean and S. R. Waitukaitis, “Single-collision statistics reveal a global mechanism driven by sample history for contact electrification in granular media,” Physical Review Letters, vol. 130, no. 9. American Physical Society, 2023. ista: Grosjean GM, Waitukaitis SR. 2023. Single-collision statistics reveal a global mechanism driven by sample history for contact electrification in granular media. Physical Review Letters. 130(9), 098202. mla: Grosjean, Galien M., and Scott R. Waitukaitis. “Single-Collision Statistics Reveal a Global Mechanism Driven by Sample History for Contact Electrification in Granular Media.” Physical Review Letters, vol. 130, no. 9, 098202, American Physical Society, 2023, doi:10.1103/physrevlett.130.098202. short: G.M. Grosjean, S.R. Waitukaitis, Physical Review Letters 130 (2023). corr_author: '1' date_created: 2023-02-28T12:14:46Z date_published: 2023-03-03T00:00:00Z date_updated: 2025-04-23T08:51:13Z day: '03' ddc: - '530' - '537' department: - _id: ScWa doi: 10.1103/physrevlett.130.098202 ec_funded: 1 external_id: arxiv: - '2211.02488' isi: - '000946178200008' pmid: - '36930925' file: - access_level: open_access checksum: c4f2f6eea0408811f8f4898e15890355 content_type: application/pdf creator: ggrosjea date_created: 2023-02-28T12:20:27Z date_updated: 2023-02-28T12:20:27Z file_id: '12698' file_name: Main_Preprint.pdf file_size: 2301864 relation: main_file success: 1 - access_level: open_access checksum: 6af6ed6c97a977f923de4162294b43c4 content_type: application/pdf creator: ggrosjea date_created: 2023-02-28T12:20:55Z date_updated: 2023-02-28T12:20:55Z file_id: '12699' file_name: Suppl_info.pdf file_size: 1138625 relation: main_file success: 1 - access_level: open_access checksum: 3f20365fb9515bdba3a111d912c8d8b4 content_type: video/mp4 creator: ggrosjea date_created: 2023-02-28T12:37:54Z date_updated: 2023-02-28T12:37:54Z file_id: '12700' file_name: Suppl_vid1.mp4 file_size: 793449 relation: main_file success: 1 - access_level: open_access checksum: 90cecacbe0e2f9dea11f91a4ba20c32e content_type: video/mp4 creator: ggrosjea date_created: 2023-02-28T12:37:54Z date_updated: 2023-02-28T12:37:54Z file_id: '12701' file_name: Suppl_vid2.mp4 file_size: 455925 relation: main_file success: 1 file_date_updated: 2023-02-28T12:37:54Z has_accepted_license: '1' intvolume: ' 130' isi: 1 issue: '9' keyword: - General Physics - Electrostatics - Triboelectricity - Soft Matter - Acoustic Levitation - Granular Materials language: - iso: eng main_file_link: - open_access: '1' url: https://arxiv.org/abs/2211.02488 month: '03' oa: 1 oa_version: Preprint pmid: 1 project: - _id: 0aa60e99-070f-11eb-9043-a6de6bdc3afa call_identifier: H2020 grant_number: '949120' name: 'Tribocharge: a multi-scale approach to an enduring problem in physics' - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships publication: Physical Review Letters publication_identifier: eissn: - 1079-7114 issn: - 0031-9007 publication_status: published publisher: American Physical Society quality_controlled: '1' related_material: record: - id: '8101' relation: research_paper status: public scopus_import: '1' status: public title: Single-collision statistics reveal a global mechanism driven by sample history for contact electrification in granular media tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 130 year: '2023' ... --- _id: '13197' abstract: - lang: eng text: "Nominally identical materials exchange net electric charge during contact through a mechanism that is still debated. ‘Mosaic models’, in which surfaces are presumed to consist of a random patchwork of microscopic donor/acceptor sites, offer an appealing explanation for this phenomenon. However, recent experiments have shown that global differences persist even between same-material samples, which the standard mosaic framework does not account for. Here, we expand the mosaic framework by incorporating global differences in the densities of donor/acceptor sites. We develop\r\nan analytical model, backed by numerical simulations, that smoothly connects the global and deterministic charge transfer of different materials to the local and stochastic mosaic picture normally associated with identical materials. Going further, we extend our model to explain the effect of contact asymmetries during sliding, providing a plausible explanation for reversal of charging sign that has been observed experimentally." acknowledgement: "This project has received funding from the European Research Council Grant Agreement No. 949120 and from\r\nthe European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie Grant\r\nAgreement No. 754411. " article_number: '065601' article_processing_charge: No article_type: original arxiv: 1 author: - first_name: Galien M full_name: Grosjean, Galien M id: 0C5FDA4A-9CF6-11E9-8939-FF05E6697425 last_name: Grosjean orcid: 0000-0001-5154-417X - first_name: Scott R full_name: Waitukaitis, Scott R id: 3A1FFC16-F248-11E8-B48F-1D18A9856A87 last_name: Waitukaitis orcid: 0000-0002-2299-3176 citation: ama: 'Grosjean GM, Waitukaitis SR. Asymmetries in triboelectric charging: Generalizing mosaic models to different-material samples and sliding contacts. Physical Review Materials. 2023;7(6). doi:10.1103/physrevmaterials.7.065601' apa: 'Grosjean, G. M., & Waitukaitis, S. R. (2023). Asymmetries in triboelectric charging: Generalizing mosaic models to different-material samples and sliding contacts. Physical Review Materials. American Physical Society. https://doi.org/10.1103/physrevmaterials.7.065601' chicago: 'Grosjean, Galien M, and Scott R Waitukaitis. “Asymmetries in Triboelectric Charging: Generalizing Mosaic Models to Different-Material Samples and Sliding Contacts.” Physical Review Materials. American Physical Society, 2023. https://doi.org/10.1103/physrevmaterials.7.065601.' ieee: 'G. M. Grosjean and S. R. Waitukaitis, “Asymmetries in triboelectric charging: Generalizing mosaic models to different-material samples and sliding contacts,” Physical Review Materials, vol. 7, no. 6. American Physical Society, 2023.' ista: 'Grosjean GM, Waitukaitis SR. 2023. Asymmetries in triboelectric charging: Generalizing mosaic models to different-material samples and sliding contacts. Physical Review Materials. 7(6), 065601.' mla: 'Grosjean, Galien M., and Scott R. Waitukaitis. “Asymmetries in Triboelectric Charging: Generalizing Mosaic Models to Different-Material Samples and Sliding Contacts.” Physical Review Materials, vol. 7, no. 6, 065601, American Physical Society, 2023, doi:10.1103/physrevmaterials.7.065601.' short: G.M. Grosjean, S.R. Waitukaitis, Physical Review Materials 7 (2023). corr_author: '1' date_created: 2023-07-07T12:48:01Z date_published: 2023-06-13T00:00:00Z date_updated: 2025-04-14T07:43:55Z day: '13' ddc: - '537' department: - _id: ScWa doi: 10.1103/physrevmaterials.7.065601 ec_funded: 1 external_id: arxiv: - '2304.12861' isi: - '001019565900002' file: - access_level: open_access checksum: 75584730d9cdd50eeccb4c52c509776d content_type: application/pdf creator: ggrosjea date_created: 2023-07-07T12:49:51Z date_updated: 2023-07-07T12:49:51Z file_id: '13198' file_name: Mosaic_asymmetries.pdf file_size: 1127040 relation: main_file success: 1 file_date_updated: 2023-07-07T12:49:51Z has_accepted_license: '1' intvolume: ' 7' isi: 1 issue: '6' keyword: - Physics and Astronomy (miscellaneous) - General Materials Science language: - iso: eng month: '06' oa: 1 oa_version: Submitted Version project: - _id: 0aa60e99-070f-11eb-9043-a6de6bdc3afa call_identifier: H2020 grant_number: '949120' name: 'Tribocharge: a multi-scale approach to an enduring problem in physics' - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships publication: Physical Review Materials publication_identifier: issn: - 2475-9953 publication_status: published publisher: American Physical Society quality_controlled: '1' scopus_import: '1' status: public title: 'Asymmetries in triboelectric charging: Generalizing mosaic models to different-material samples and sliding contacts' type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 7 year: '2023' ... --- _id: '13251' abstract: - lang: eng text: A rotating organic cation and a dynamically disordered soft inorganic cage are the hallmark features of organic-inorganic lead-halide perovskites. Understanding the interplay between these two subsystems is a challenging problem, but it is this coupling that is widely conjectured to be responsible for the unique behavior of photocarriers in these materials. In this work, we use the fact that the polarizability of the organic cation strongly depends on the ambient electrostatic environment to put the molecule forward as a sensitive probe of the local crystal fields inside the lattice cell. We measure the average polarizability of the C/N–H bond stretching mode by means of infrared spectroscopy, which allows us to deduce the character of the motion of the cation molecule, find the magnitude of the local crystal field, and place an estimate on the strength of the hydrogen bond between the hydrogen and halide atoms. Our results pave the way for understanding electric fields in lead-halide perovskites using infrared bond spectroscopy. acknowledgement: "We thank Bingqing Cheng and Hong-Zhou Ye for valuable discussions; Y.W.’s work at IST Austria was supported through ISTernship summer internship program funded by OeADGmbH; D.L. and Z.A. acknowledge support by IST Austria (ISTA); M.L. acknowledges support by the European Research Council (ERC) Starting Grant No. 801770 (ANGULON).\r\nA.A.Z. and O.M.B. acknowledge support by KAUST." article_processing_charge: Yes (via OA deal) article_type: original arxiv: 1 author: - first_name: Yujing full_name: Wei, Yujing id: 0c5ff007-2600-11ee-b896-98bd8d663294 last_name: Wei orcid: 0000-0001-8913-9719 - first_name: Artem full_name: Volosniev, Artem id: 37D278BC-F248-11E8-B48F-1D18A9856A87 last_name: Volosniev orcid: 0000-0003-0393-5525 - first_name: Dusan full_name: Lorenc, Dusan id: 40D8A3E6-F248-11E8-B48F-1D18A9856A87 last_name: Lorenc - first_name: Ayan A. full_name: Zhumekenov, Ayan A. last_name: Zhumekenov - first_name: Osman M. full_name: Bakr, Osman M. last_name: Bakr - first_name: Mikhail full_name: Lemeshko, Mikhail id: 37CB05FA-F248-11E8-B48F-1D18A9856A87 last_name: Lemeshko orcid: 0000-0002-6990-7802 - first_name: Zhanybek full_name: Alpichshev, Zhanybek id: 45E67A2A-F248-11E8-B48F-1D18A9856A87 last_name: Alpichshev orcid: 0000-0002-7183-5203 citation: ama: Wei Y, Volosniev A, Lorenc D, et al. Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites. The Journal of Physical Chemistry Letters. 2023;14(27):6309-6314. doi:10.1021/acs.jpclett.3c01158 apa: Wei, Y., Volosniev, A., Lorenc, D., Zhumekenov, A. A., Bakr, O. M., Lemeshko, M., & Alpichshev, Z. (2023). Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites. The Journal of Physical Chemistry Letters. American Chemical Society. https://doi.org/10.1021/acs.jpclett.3c01158 chicago: Wei, Yujing, Artem Volosniev, Dusan Lorenc, Ayan A. Zhumekenov, Osman M. Bakr, Mikhail Lemeshko, and Zhanybek Alpichshev. “Bond Polarizability as a Probe of Local Crystal Fields in Hybrid Lead-Halide Perovskites.” The Journal of Physical Chemistry Letters. American Chemical Society, 2023. https://doi.org/10.1021/acs.jpclett.3c01158. ieee: Y. Wei et al., “Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites,” The Journal of Physical Chemistry Letters, vol. 14, no. 27. American Chemical Society, pp. 6309–6314, 2023. ista: Wei Y, Volosniev A, Lorenc D, Zhumekenov AA, Bakr OM, Lemeshko M, Alpichshev Z. 2023. Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites. The Journal of Physical Chemistry Letters. 14(27), 6309–6314. mla: Wei, Yujing, et al. “Bond Polarizability as a Probe of Local Crystal Fields in Hybrid Lead-Halide Perovskites.” The Journal of Physical Chemistry Letters, vol. 14, no. 27, American Chemical Society, 2023, pp. 6309–14, doi:10.1021/acs.jpclett.3c01158. short: Y. Wei, A. Volosniev, D. Lorenc, A.A. Zhumekenov, O.M. Bakr, M. Lemeshko, Z. Alpichshev, The Journal of Physical Chemistry Letters 14 (2023) 6309–6314. corr_author: '1' date_created: 2023-07-18T11:13:17Z date_published: 2023-07-05T00:00:00Z date_updated: 2025-04-23T13:01:50Z day: '05' ddc: - '530' department: - _id: MiLe - _id: ZhAl doi: 10.1021/acs.jpclett.3c01158 ec_funded: 1 external_id: arxiv: - '2304.14198' isi: - '001022811500001' pmid: - '37405449' file: - access_level: open_access checksum: c0c040063f06a51b9c463adc504f1a23 content_type: application/pdf creator: dernst date_created: 2023-07-19T06:55:39Z date_updated: 2023-07-19T06:55:39Z file_id: '13253' file_name: 2023_JourPhysChemistry_Wei.pdf file_size: 2121252 relation: main_file success: 1 file_date_updated: 2023-07-19T06:55:39Z has_accepted_license: '1' intvolume: ' 14' isi: 1 issue: '27' keyword: - General Materials Science - Physical and Theoretical Chemistry language: - iso: eng month: '07' oa: 1 oa_version: Published Version page: 6309-6314 pmid: 1 project: - _id: 2688CF98-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '801770' name: 'Angulon: physics and applications of a new quasiparticle' publication: The Journal of Physical Chemistry Letters publication_identifier: eissn: - 1948-7185 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Bond polarizability as a probe of local crystal fields in hybrid lead-halide perovskites tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 14 year: '2023' ... --- _id: '13346' abstract: - lang: eng text: The self-assembly of nanoparticles driven by small molecules or ions may produce colloidal superlattices with features and properties reminiscent of those of metals or semiconductors. However, to what extent the properties of such supramolecular crystals actually resemble those of atomic materials often remains unclear. Here, we present coarse-grained molecular simulations explicitly demonstrating how a behavior evocative of that of semiconductors may emerge in a colloidal superlattice. As a case study, we focus on gold nanoparticles bearing positively charged groups that self-assemble into FCC crystals via mediation by citrate counterions. In silico ohmic experiments show how the dynamically diverse behavior of the ions in different superlattice domains allows the opening of conductive ionic gates above certain levels of applied electric fields. The observed binary conductive/nonconductive behavior is reminiscent of that of conventional semiconductors, while, at a supramolecular level, crossing the “band gap” requires a sufficient electrostatic stimulus to break the intermolecular interactions and make ions diffuse throughout the superlattice’s cavities. article_processing_charge: No article_type: original author: - first_name: Chiara full_name: Lionello, Chiara last_name: Lionello - first_name: Claudio full_name: Perego, Claudio last_name: Perego - first_name: Andrea full_name: Gardin, Andrea last_name: Gardin - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn - first_name: Giovanni M. full_name: Pavan, Giovanni M. last_name: Pavan citation: ama: Lionello C, Perego C, Gardin A, Klajn R, Pavan GM. Supramolecular semiconductivity through emerging ionic gates in ion–nanoparticle superlattices. ACS Nano. 2023;17(1):275-287. doi:10.1021/acsnano.2c07558 apa: Lionello, C., Perego, C., Gardin, A., Klajn, R., & Pavan, G. M. (2023). Supramolecular semiconductivity through emerging ionic gates in ion–nanoparticle superlattices. ACS Nano. American Chemical Society. https://doi.org/10.1021/acsnano.2c07558 chicago: Lionello, Chiara, Claudio Perego, Andrea Gardin, Rafal Klajn, and Giovanni M. Pavan. “Supramolecular Semiconductivity through Emerging Ionic Gates in Ion–Nanoparticle Superlattices.” ACS Nano. American Chemical Society, 2023. https://doi.org/10.1021/acsnano.2c07558. ieee: C. Lionello, C. Perego, A. Gardin, R. Klajn, and G. M. Pavan, “Supramolecular semiconductivity through emerging ionic gates in ion–nanoparticle superlattices,” ACS Nano, vol. 17, no. 1. American Chemical Society, pp. 275–287, 2023. ista: Lionello C, Perego C, Gardin A, Klajn R, Pavan GM. 2023. Supramolecular semiconductivity through emerging ionic gates in ion–nanoparticle superlattices. ACS Nano. 17(1), 275–287. mla: Lionello, Chiara, et al. “Supramolecular Semiconductivity through Emerging Ionic Gates in Ion–Nanoparticle Superlattices.” ACS Nano, vol. 17, no. 1, American Chemical Society, 2023, pp. 275–87, doi:10.1021/acsnano.2c07558. short: C. Lionello, C. Perego, A. Gardin, R. Klajn, G.M. Pavan, ACS Nano 17 (2023) 275–287. date_created: 2023-08-01T09:30:29Z date_published: 2023-01-10T00:00:00Z date_updated: 2023-08-02T06:51:15Z day: '10' doi: 10.1021/acsnano.2c07558 extern: '1' intvolume: ' 17' issue: '1' keyword: - General Physics and Astronomy - General Engineering - General Materials Science language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1021/acsnano.2c07558 month: '01' oa: 1 oa_version: Published Version page: 275-287 publication: ACS Nano publication_identifier: eissn: - 1936-086X issn: - 1936-0851 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Supramolecular semiconductivity through emerging ionic gates in ion–nanoparticle superlattices type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 17 year: '2023' ... --- _id: '14831' abstract: - lang: eng text: Catalysis, the acceleration of product formation by a substance that is left unchanged, typically results from multiple elementary processes, including diffusion of the reactants toward the catalyst, chemical steps, and release of the products. While efforts to design catalysts are often focused on accelerating the chemical reaction on the catalyst, catalysis is a global property of the catalytic cycle that involves all processes. These are controlled by both intrinsic parameters such as the composition and shape of the catalyst and extrinsic parameters such as the concentration of the chemical species at play. We examine here the conditions that catalysis imposes on the different steps of a reaction cycle and the respective role of intrinsic and extrinsic parameters of the system on the emergence of catalysis by using an approach based on first-passage times. We illustrate this approach for various decompositions of a catalytic cycle into elementary steps, including non-Markovian decompositions, which are useful when the presence and nature of intermediate states are a priori unknown. Our examples cover different types of reactions and clarify the constraints on elementary steps and the impact of species concentrations on catalysis. acknowledgement: We acknowledge funding from ANR-22-CE06-0037-02. This work has received funding from the European Unions Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No. 754387. article_processing_charge: No article_type: original arxiv: 1 author: - first_name: Yann full_name: Sakref, Yann last_name: Sakref - first_name: Maitane full_name: Muñoz Basagoiti, Maitane id: 1a8a7950-82cd-11ed-bd4f-9624c913a607 last_name: Muñoz Basagoiti orcid: 0000-0003-1483-1457 - first_name: Zorana full_name: Zeravcic, Zorana last_name: Zeravcic - first_name: Olivier full_name: Rivoire, Olivier last_name: Rivoire citation: ama: Sakref Y, Muñoz Basagoiti M, Zeravcic Z, Rivoire O. On kinetic constraints that catalysis imposes on elementary processes. The Journal of Physical Chemistry B. 2023;127(51):10950-10959. doi:10.1021/acs.jpcb.3c04627 apa: Sakref, Y., Muñoz Basagoiti, M., Zeravcic, Z., & Rivoire, O. (2023). On kinetic constraints that catalysis imposes on elementary processes. The Journal of Physical Chemistry B. American Chemical Society. https://doi.org/10.1021/acs.jpcb.3c04627 chicago: Sakref, Yann, Maitane Muñoz Basagoiti, Zorana Zeravcic, and Olivier Rivoire. “On Kinetic Constraints That Catalysis Imposes on Elementary Processes.” The Journal of Physical Chemistry B. American Chemical Society, 2023. https://doi.org/10.1021/acs.jpcb.3c04627. ieee: Y. Sakref, M. Muñoz Basagoiti, Z. Zeravcic, and O. Rivoire, “On kinetic constraints that catalysis imposes on elementary processes,” The Journal of Physical Chemistry B, vol. 127, no. 51. American Chemical Society, pp. 10950–10959, 2023. ista: Sakref Y, Muñoz Basagoiti M, Zeravcic Z, Rivoire O. 2023. On kinetic constraints that catalysis imposes on elementary processes. The Journal of Physical Chemistry B. 127(51), 10950–10959. mla: Sakref, Yann, et al. “On Kinetic Constraints That Catalysis Imposes on Elementary Processes.” The Journal of Physical Chemistry B, vol. 127, no. 51, American Chemical Society, 2023, pp. 10950–59, doi:10.1021/acs.jpcb.3c04627. short: Y. Sakref, M. Muñoz Basagoiti, Z. Zeravcic, O. Rivoire, The Journal of Physical Chemistry B 127 (2023) 10950–10959. date_created: 2024-01-18T07:47:11Z date_published: 2023-12-13T00:00:00Z date_updated: 2025-04-23T13:15:17Z day: '13' department: - _id: AnSa doi: 10.1021/acs.jpcb.3c04627 external_id: arxiv: - '2312.15940' isi: - '001134068000001' pmid: - '38091487' intvolume: ' 127' isi: 1 issue: '51' keyword: - Materials Chemistry - Surfaces - Coatings and Films - Physical and Theoretical Chemistry language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.48550/arXiv.2312.15940 month: '12' oa: 1 oa_version: Preprint page: 10950-10959 pmid: 1 publication: The Journal of Physical Chemistry B publication_identifier: eissn: - 1520-5207 issn: - 1520-6106 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: On kinetic constraints that catalysis imposes on elementary processes type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 127 year: '2023' ... --- _id: '12137' abstract: - lang: eng text: We investigate the local self-sustained process underlying spiral turbulence in counter-rotating Taylor–Couette flow using a periodic annular domain, shaped as a parallelogram, two of whose sides are aligned with the cylindrical helix described by the spiral pattern. The primary focus of the study is placed on the emergence of drifting–rotating waves (DRW) that capture, in a relatively small domain, the main features of coherent structures typically observed in developed turbulence. The transitional dynamics of the subcritical region, far below the first instability of the laminar circular Couette flow, is determined by the upper and lower branches of DRW solutions originated at saddle-node bifurcations. The mechanism whereby these solutions self-sustain, and the chaotic dynamics they induce, are conspicuously reminiscent of other subcritical shear flows. Remarkably, the flow properties of DRW persist even as the Reynolds number is increased beyond the linear stability threshold of the base flow. Simulations in a narrow parallelogram domain stretched in the azimuthal direction to revolve around the apparatus a full turn confirm that self-sustained vortices eventually concentrate into a localised pattern. The resulting statistical steady state satisfactorily reproduces qualitatively, and to a certain degree also quantitatively, the topology and properties of spiral turbulence as calculated in a large periodic domain of sufficient aspect ratio that is representative of the real system. acknowledgement: "K.D.’s research was supported by an Australian Research Council Discovery Early Career\r\nResearcher Award (DE170100171). B.W., R.A., F.M. and A.M. research was supported by the Spanish Ministerio de Economía y Competitivdad (grant numbers FIS2016-77849-R and FIS2017-85794-P) and Ministerio de Ciencia e Innovación (grant number PID2020-114043GB-I00) and the Generalitat de Catalunya (grant 2017-SGR-785). B.W.’s research was also supported by the Chinese Scholarship Council (grant CSC no. 201806440152)." article_number: A21 article_processing_charge: No article_type: original arxiv: 1 author: - first_name: B. full_name: Wang, B. last_name: Wang - first_name: Roger full_name: Ayats López, Roger id: ab77522d-073b-11ed-8aff-e71b39258362 last_name: Ayats López orcid: 0000-0001-6572-0621 - first_name: K. full_name: Deguchi, K. last_name: Deguchi - first_name: F. full_name: Mellibovsky, F. last_name: Mellibovsky - first_name: A. full_name: Meseguer, A. last_name: Meseguer citation: ama: Wang B, Ayats López R, Deguchi K, Mellibovsky F, Meseguer A. Self-sustainment of coherent structures in counter-rotating Taylor–Couette flow. Journal of Fluid Mechanics. 2022;951. doi:10.1017/jfm.2022.828 apa: Wang, B., Ayats López, R., Deguchi, K., Mellibovsky, F., & Meseguer, A. (2022). Self-sustainment of coherent structures in counter-rotating Taylor–Couette flow. Journal of Fluid Mechanics. Cambridge University Press. https://doi.org/10.1017/jfm.2022.828 chicago: Wang, B., Roger Ayats López, K. Deguchi, F. Mellibovsky, and A. Meseguer. “Self-Sustainment of Coherent Structures in Counter-Rotating Taylor–Couette Flow.” Journal of Fluid Mechanics. Cambridge University Press, 2022. https://doi.org/10.1017/jfm.2022.828. ieee: B. Wang, R. Ayats López, K. Deguchi, F. Mellibovsky, and A. Meseguer, “Self-sustainment of coherent structures in counter-rotating Taylor–Couette flow,” Journal of Fluid Mechanics, vol. 951. Cambridge University Press, 2022. ista: Wang B, Ayats López R, Deguchi K, Mellibovsky F, Meseguer A. 2022. Self-sustainment of coherent structures in counter-rotating Taylor–Couette flow. Journal of Fluid Mechanics. 951, A21. mla: Wang, B., et al. “Self-Sustainment of Coherent Structures in Counter-Rotating Taylor–Couette Flow.” Journal of Fluid Mechanics, vol. 951, A21, Cambridge University Press, 2022, doi:10.1017/jfm.2022.828. short: B. Wang, R. Ayats López, K. Deguchi, F. Mellibovsky, A. Meseguer, Journal of Fluid Mechanics 951 (2022). date_created: 2023-01-12T12:04:17Z date_published: 2022-11-07T00:00:00Z date_updated: 2023-08-04T08:54:16Z day: '07' department: - _id: BjHo doi: 10.1017/jfm.2022.828 external_id: arxiv: - '2207.12990' isi: - '000879446900001' intvolume: ' 951' isi: 1 keyword: - Mechanical Engineering - Mechanics of Materials - Condensed Matter Physics - Applied Mathematics language: - iso: eng main_file_link: - open_access: '1' url: ' https://doi.org/10.48550/arXiv.2207.12990' month: '11' oa: 1 oa_version: Preprint publication: Journal of Fluid Mechanics publication_identifier: eissn: - 1469-7645 issn: - 0022-1120 publication_status: published publisher: Cambridge University Press quality_controlled: '1' scopus_import: '1' status: public title: Self-sustainment of coherent structures in counter-rotating Taylor–Couette flow type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 951 year: '2022' ... --- _id: '12146' abstract: - lang: eng text: 'In this paper, we explore the stability and dynamical relevance of a wide variety of steady, time-periodic, quasiperiodic, and chaotic flows arising between orthogonally stretching parallel plates. We first explore the stability of all the steady flow solution families formerly identified by Ayats et al. [“Flows between orthogonally stretching parallel plates,” Phys. Fluids 33, 024103 (2021)], concluding that only the one that originates from the Stokesian approximation is actually stable. When both plates are shrinking at identical or nearly the same deceleration rates, this Stokesian flow exhibits a Hopf bifurcation that leads to stable time-periodic regimes. The resulting time-periodic orbits or flows are tracked for different Reynolds numbers and stretching rates while monitoring their Floquet exponents to identify secondary instabilities. It is found that these time-periodic flows also exhibit Neimark–Sacker bifurcations, generating stable quasiperiodic flows (tori) that may sometimes give rise to chaotic dynamics through a Ruelle–Takens–Newhouse scenario. However, chaotic dynamics is unusually observed, as the quasiperiodic flows generally become phase-locked through a resonance mechanism before a strange attractor may arise, thus restoring the time-periodicity of the flow. In this work, we have identified and tracked four different resonance regions, also known as Arnold tongues or horns. In particular, the 1 : 4 strong resonance region is explored in great detail, where the identified scenarios are in very good agreement with normal form theory. ' acknowledgement: "This work was supported by the Spanish MINECO under Grant Nos. FIS2017-85794-P and PRX18/00179, the Spanish MICINN through Grant No. PID2020-114043GB-I00, and the\r\nGeneralitat de Catalunya under Grant No. 2017-SGR-785. B.W.’s research was also supported by the Chinese Scholarship Council through Grant CSC No. 201806440152." article_number: '114111' article_processing_charge: No article_type: original author: - first_name: B. full_name: Wang, B. last_name: Wang - first_name: Roger full_name: Ayats López, Roger id: ab77522d-073b-11ed-8aff-e71b39258362 last_name: Ayats López orcid: 0000-0001-6572-0621 - first_name: A. full_name: Meseguer, A. last_name: Meseguer - first_name: F. full_name: Marques, F. last_name: Marques citation: ama: Wang B, Ayats López R, Meseguer A, Marques F. Phase-locking flows between orthogonally stretching parallel plates. Physics of Fluids. 2022;34(11). doi:10.1063/5.0124152 apa: Wang, B., Ayats López, R., Meseguer, A., & Marques, F. (2022). Phase-locking flows between orthogonally stretching parallel plates. Physics of Fluids. AIP Publishing. https://doi.org/10.1063/5.0124152 chicago: Wang, B., Roger Ayats López, A. Meseguer, and F. Marques. “Phase-Locking Flows between Orthogonally Stretching Parallel Plates.” Physics of Fluids. AIP Publishing, 2022. https://doi.org/10.1063/5.0124152. ieee: B. Wang, R. Ayats López, A. Meseguer, and F. Marques, “Phase-locking flows between orthogonally stretching parallel plates,” Physics of Fluids, vol. 34, no. 11. AIP Publishing, 2022. ista: Wang B, Ayats López R, Meseguer A, Marques F. 2022. Phase-locking flows between orthogonally stretching parallel plates. Physics of Fluids. 34(11), 114111. mla: Wang, B., et al. “Phase-Locking Flows between Orthogonally Stretching Parallel Plates.” Physics of Fluids, vol. 34, no. 11, 114111, AIP Publishing, 2022, doi:10.1063/5.0124152. short: B. Wang, R. Ayats López, A. Meseguer, F. Marques, Physics of Fluids 34 (2022). date_created: 2023-01-12T12:06:58Z date_published: 2022-11-04T00:00:00Z date_updated: 2023-10-03T11:07:58Z day: '04' department: - _id: BjHo doi: 10.1063/5.0124152 external_id: isi: - '000880665300024' intvolume: ' 34' isi: 1 issue: '11' keyword: - Condensed Matter Physics - Fluid Flow and Transfer Processes - Mechanics of Materials - Computational Mechanics - Mechanical Engineering language: - iso: eng main_file_link: - open_access: '1' url: https://upcommons.upc.edu/handle/2117/385635 month: '11' oa: 1 oa_version: Submitted Version publication: Physics of Fluids publication_identifier: eissn: - 1089-7666 issn: - 1070-6631 publication_status: published publisher: AIP Publishing quality_controlled: '1' scopus_import: '1' status: public title: Phase-locking flows between orthogonally stretching parallel plates type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 34 year: '2022' ... --- _id: '12213' abstract: - lang: eng text: 'Motivated by properties-controlling potential of the strain, we investigate strain dependence of structure, electronic, and magnetic properties of Sr2IrO4 using complementary theoretical tools: ab-initio calculations, analytical approaches (rigid octahedra picture, Slater-Koster integrals), and extended t−J model. We find that strain affects both Ir-Ir distance and Ir-O-Ir angle, and the rigid octahedra picture is not relevant. Second, we find fundamentally different behavior for compressive and tensile strain. One remarkable feature is the formation of two subsets of bond- and orbital-dependent carriers, a compass-like model, under compression. This originates from the strain-induced renormalization of the Ir-O-Ir superexchange and O on-site energy. We also show that under compressive (tensile) strain, Fermi surface becomes highly dispersive (relatively flat). Already at a tensile strain of 1.5%, we observe spectral weight redistribution, with the low-energy band acquiring almost purely singlet character. These results can be directly compared with future experiments.' acknowledgement: E.M.P. thanks Eugenio Paris, Thorsten Schmitt, Krzysztof Wohlfeld, and other coauthors for an inspiring previous collaboration23, and is grateful to Gang Cao, Ambrose Seo, and Jungho Kim for insightful discussions. R.R. acknowledges helpful discussion with Sanjeev Kumar and Manuel Richter. This project has received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No 754411. C.C.C. acknowledges support from the U.S. National Science Foundation Award No. DMR-2142801. article_number: '90' article_processing_charge: No article_type: original author: - first_name: Ekaterina full_name: Paerschke, Ekaterina id: 8275014E-6063-11E9-9B7F-6338E6697425 last_name: Paerschke orcid: 0000-0003-0853-8182 - first_name: Wei-Chih full_name: Chen, Wei-Chih last_name: Chen - first_name: Rajyavardhan full_name: Ray, Rajyavardhan last_name: Ray - first_name: Cheng-Chien full_name: Chen, Cheng-Chien last_name: Chen citation: ama: Paerschke E, Chen W-C, Ray R, Chen C-C. Evolution of electronic and magnetic properties of Sr₂IrO₄ under strain. npj Quantum Materials. 2022;7. doi:10.1038/s41535-022-00496-w apa: Paerschke, E., Chen, W.-C., Ray, R., & Chen, C.-C. (2022). Evolution of electronic and magnetic properties of Sr₂IrO₄ under strain. Npj Quantum Materials. Springer Nature. https://doi.org/10.1038/s41535-022-00496-w chicago: Paerschke, Ekaterina, Wei-Chih Chen, Rajyavardhan Ray, and Cheng-Chien Chen. “Evolution of Electronic and Magnetic Properties of Sr₂IrO₄ under Strain.” Npj Quantum Materials. Springer Nature, 2022. https://doi.org/10.1038/s41535-022-00496-w. ieee: E. Paerschke, W.-C. Chen, R. Ray, and C.-C. Chen, “Evolution of electronic and magnetic properties of Sr₂IrO₄ under strain,” npj Quantum Materials, vol. 7. Springer Nature, 2022. ista: Paerschke E, Chen W-C, Ray R, Chen C-C. 2022. Evolution of electronic and magnetic properties of Sr₂IrO₄ under strain. npj Quantum Materials. 7, 90. mla: Paerschke, Ekaterina, et al. “Evolution of Electronic and Magnetic Properties of Sr₂IrO₄ under Strain.” Npj Quantum Materials, vol. 7, 90, Springer Nature, 2022, doi:10.1038/s41535-022-00496-w. short: E. Paerschke, W.-C. Chen, R. Ray, C.-C. Chen, Npj Quantum Materials 7 (2022). corr_author: '1' date_created: 2023-01-16T09:46:01Z date_published: 2022-09-10T00:00:00Z date_updated: 2025-04-14T07:44:00Z day: '10' ddc: - '530' department: - _id: MiLe doi: 10.1038/s41535-022-00496-w ec_funded: 1 external_id: isi: - '000852381200003' file: - access_level: open_access checksum: d93b477b5b95c0d1b8f9fef90a81f565 content_type: application/pdf creator: dernst date_created: 2023-01-27T07:59:27Z date_updated: 2023-01-27T07:59:27Z file_id: '12414' file_name: 2022_NPJ_Paerschke.pdf file_size: 1852598 relation: main_file success: 1 file_date_updated: 2023-01-27T07:59:27Z has_accepted_license: '1' intvolume: ' 7' isi: 1 keyword: - Condensed Matter Physics - Electronic - Optical and Magnetic Materials language: - iso: eng month: '09' oa: 1 oa_version: Published Version project: - _id: 260C2330-B435-11E9-9278-68D0E5697425 call_identifier: H2020 grant_number: '754411' name: ISTplus - Postdoctoral Fellowships publication: npj Quantum Materials publication_identifier: eissn: - 2397-4648 publication_status: published publisher: Springer Nature quality_controlled: '1' related_material: link: - relation: erratum url: https://doi.org/10.1038/s41535-022-00510-1 scopus_import: '1' status: public title: Evolution of electronic and magnetic properties of Sr₂IrO₄ under strain tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 7 year: '2022' ... --- _id: '12227' abstract: - lang: eng text: Polydicyclopentadiene (pDCPD), a thermoset with excellent mechanical properties, has enormous potential as a lightweight, tough, and stable matrix material owing to its highly cross-linked macromolecular network. This work describes generating pDCPD-based foams and hierarchically porous carbons derived therefrom by combining ring-opening metathesis polymerization (ROMP) of DCPD, high internal phase emulsions (HIPEs) as structural templates, and subsequent carbonization. The structure and function of the carbon foams were characterized and discussed in detail using scanning electron, transmission electron, or atomic force microscopy (SEM, TEM, AFM), electron energy-loss spectroscopy (TEM-EELS), N2 sorption, and analyses of electrical conductivity as well as mechanical properties. The resulting materials exhibited uniform, shape-retaining shrinkage of only ∼1/3 after carbonization. No structural failure was observed even when the pDCPD precursor foams were heated to 1400 °C. Instead, the high porosity, void size, and 3D interconnectivity were fully preserved, and the void diameters could be adjusted between 87 and 2.5 μm. Moreover, foams have a carbon content >97%, an electronic conductivity of up to 2800 S·m–1, a Young’s modulus of up to 2.1 GPa, and a specific surface area of up to 1200 m2·g–1. Surprisingly, the pDCPD foams were carbonized into shapes other than monoliths, such as 10’s of micron thick membranes or foamy coatings adhered to a metal foil or grid substrate. The latter coatings even adhere upon bending. Finally, as a use case, carbonized foams were applied as porous cathodes for Li–O2 batteries where the foams show a favorable combination of porosity, active surface area, and pore size for outstanding capacity. acknowledgement: S.K. acknowledges the financial support from the Slovenian Research Agency (grants P1-0021, P2-0150). Support by Graz University of Technology (LP-03 – Porous Materials@Work) and from VARTA Innovation GmbH is kindly acknowledged. We thank Umicore for providing the initiator and Matjaž Mazaj (National Institute of Chemistry, Ljubljana) and Karel Jerabek (Czech Academy of Sciences) for measurements and fruitful discussions. S.A.F. is indebted to the Austrian Federal Ministry of Science, Research and Economy; the Austrian Research Promotion Agency (Grant No. 845364); and ISTA for support. article_processing_charge: No article_type: original author: - first_name: Sebastijan full_name: Kovačič, Sebastijan last_name: Kovačič - first_name: Bettina full_name: Schafzahl, Bettina last_name: Schafzahl - first_name: Nadejda B. full_name: Matsko, Nadejda B. last_name: Matsko - first_name: Katharina full_name: Gruber, Katharina last_name: Gruber - first_name: Martin full_name: Schmuck, Martin last_name: Schmuck - first_name: Stefan full_name: Koller, Stefan last_name: Koller - first_name: Stefan Alexander full_name: Freunberger, Stefan Alexander id: A8CA28E6-CE23-11E9-AD2D-EC27E6697425 last_name: Freunberger orcid: 0000-0003-2902-5319 - first_name: Christian full_name: Slugovc, Christian last_name: Slugovc citation: ama: 'Kovačič S, Schafzahl B, Matsko NB, et al. Carbon foams via ring-opening metathesis polymerization of emulsion templates: A facile method to make carbon current collectors for battery applications. ACS Applied Energy Materials. 2022;5(11):14381-14390. doi:10.1021/acsaem.2c02787' apa: 'Kovačič, S., Schafzahl, B., Matsko, N. B., Gruber, K., Schmuck, M., Koller, S., … Slugovc, C. (2022). Carbon foams via ring-opening metathesis polymerization of emulsion templates: A facile method to make carbon current collectors for battery applications. ACS Applied Energy Materials. American Chemical Society. https://doi.org/10.1021/acsaem.2c02787' chicago: 'Kovačič, Sebastijan, Bettina Schafzahl, Nadejda B. Matsko, Katharina Gruber, Martin Schmuck, Stefan Koller, Stefan Alexander Freunberger, and Christian Slugovc. “Carbon Foams via Ring-Opening Metathesis Polymerization of Emulsion Templates: A Facile Method to Make Carbon Current Collectors for Battery Applications.” ACS Applied Energy Materials. American Chemical Society, 2022. https://doi.org/10.1021/acsaem.2c02787.' ieee: 'S. Kovačič et al., “Carbon foams via ring-opening metathesis polymerization of emulsion templates: A facile method to make carbon current collectors for battery applications,” ACS Applied Energy Materials, vol. 5, no. 11. American Chemical Society, pp. 14381–14390, 2022.' ista: 'Kovačič S, Schafzahl B, Matsko NB, Gruber K, Schmuck M, Koller S, Freunberger SA, Slugovc C. 2022. Carbon foams via ring-opening metathesis polymerization of emulsion templates: A facile method to make carbon current collectors for battery applications. ACS Applied Energy Materials. 5(11), 14381–14390.' mla: 'Kovačič, Sebastijan, et al. “Carbon Foams via Ring-Opening Metathesis Polymerization of Emulsion Templates: A Facile Method to Make Carbon Current Collectors for Battery Applications.” ACS Applied Energy Materials, vol. 5, no. 11, American Chemical Society, 2022, pp. 14381–90, doi:10.1021/acsaem.2c02787.' short: S. Kovačič, B. Schafzahl, N.B. Matsko, K. Gruber, M. Schmuck, S. Koller, S.A. Freunberger, C. Slugovc, ACS Applied Energy Materials 5 (2022) 14381–14390. corr_author: '1' date_created: 2023-01-16T09:48:53Z date_published: 2022-10-16T00:00:00Z date_updated: 2024-10-09T21:03:48Z day: '16' ddc: - '540' department: - _id: StFr doi: 10.1021/acsaem.2c02787 external_id: isi: - '000875635900001' file: - access_level: open_access checksum: 572d15c250ab83d44f4e2c3aeb5f7388 content_type: application/pdf creator: dernst date_created: 2023-01-27T09:09:15Z date_updated: 2023-01-27T09:09:15Z file_id: '12420' file_name: 2022_AppliedEnergyMaterials_Kovacic.pdf file_size: 13105589 relation: main_file success: 1 file_date_updated: 2023-01-27T09:09:15Z has_accepted_license: '1' intvolume: ' 5' isi: 1 issue: '11' keyword: - Electrical and Electronic Engineering - Materials Chemistry - Electrochemistry - Energy Engineering and Power Technology - Chemical Engineering (miscellaneous) language: - iso: eng month: '10' oa: 1 oa_version: Published Version page: 14381-14390 publication: ACS Applied Energy Materials publication_identifier: issn: - 2574-0962 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: 'Carbon foams via ring-opening metathesis polymerization of emulsion templates: A facile method to make carbon current collectors for battery applications' tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 5 year: '2022' ... --- _id: '12236' abstract: - lang: eng text: High-entropy materials offer numerous advantages as catalysts, including a flexible composition to tune the catalytic activity and selectivity and a large variety of adsorption/reaction sites for multistep or multiple reactions. Herein, we report on the synthesis, properties, and electrocatalytic performance of an amorphous high-entropy boride based on abundant transition metals, CoFeNiMnZnB. This metal boride provides excellent performance toward the oxygen evolution reaction (OER), including a low overpotential of 261 mV at 10 mA cm–2, a reduced Tafel slope of 56.8 mV dec–1, and very high stability. The outstanding OER performance of CoFeNiMnZnB is attributed to the synergistic interactions between the different metals, the leaching of Zn ions, the generation of oxygen vacancies, and the in situ formation of an amorphous oxyhydroxide at the CoFeNiMnZnB surface during the OER. acknowledgement: This work was supported by the Spanish MCIN project COMBENERGY (PID2019-105490RB-C32). X.W. and L.Y. thank the China Scholarship Council (CSC) for the scholarship support. article_processing_charge: No article_type: original author: - first_name: Xiang full_name: Wang, Xiang last_name: Wang - first_name: Yong full_name: Zuo, Yong last_name: Zuo - first_name: Sharona full_name: Horta, Sharona id: 03a7e858-01b1-11ec-8b71-99ae6c4a05bc last_name: Horta - first_name: Ren full_name: He, Ren last_name: He - first_name: Linlin full_name: Yang, Linlin last_name: Yang - first_name: Ahmad full_name: Ostovari Moghaddam, Ahmad last_name: Ostovari Moghaddam - first_name: Maria full_name: Ibáñez, Maria id: 43C61214-F248-11E8-B48F-1D18A9856A87 last_name: Ibáñez orcid: 0000-0001-5013-2843 - first_name: Xueqiang full_name: Qi, Xueqiang last_name: Qi - first_name: Andreu full_name: Cabot, Andreu last_name: Cabot citation: ama: Wang X, Zuo Y, Horta S, et al. CoFeNiMnZnB as a high-entropy metal boride to boost the oxygen evolution reaction. ACS Applied Materials & Interfaces. 2022;14(42):48212-48219. doi:10.1021/acsami.2c11627 apa: Wang, X., Zuo, Y., Horta, S., He, R., Yang, L., Ostovari Moghaddam, A., … Cabot, A. (2022). CoFeNiMnZnB as a high-entropy metal boride to boost the oxygen evolution reaction. ACS Applied Materials & Interfaces. American Chemical Society. https://doi.org/10.1021/acsami.2c11627 chicago: Wang, Xiang, Yong Zuo, Sharona Horta, Ren He, Linlin Yang, Ahmad Ostovari Moghaddam, Maria Ibáñez, Xueqiang Qi, and Andreu Cabot. “CoFeNiMnZnB as a High-Entropy Metal Boride to Boost the Oxygen Evolution Reaction.” ACS Applied Materials & Interfaces. American Chemical Society, 2022. https://doi.org/10.1021/acsami.2c11627. ieee: X. Wang et al., “CoFeNiMnZnB as a high-entropy metal boride to boost the oxygen evolution reaction,” ACS Applied Materials & Interfaces, vol. 14, no. 42. American Chemical Society, pp. 48212–48219, 2022. ista: Wang X, Zuo Y, Horta S, He R, Yang L, Ostovari Moghaddam A, Ibáñez M, Qi X, Cabot A. 2022. CoFeNiMnZnB as a high-entropy metal boride to boost the oxygen evolution reaction. ACS Applied Materials & Interfaces. 14(42), 48212–48219. mla: Wang, Xiang, et al. “CoFeNiMnZnB as a High-Entropy Metal Boride to Boost the Oxygen Evolution Reaction.” ACS Applied Materials & Interfaces, vol. 14, no. 42, American Chemical Society, 2022, pp. 48212–19, doi:10.1021/acsami.2c11627. short: X. Wang, Y. Zuo, S. Horta, R. He, L. Yang, A. Ostovari Moghaddam, M. Ibáñez, X. Qi, A. Cabot, ACS Applied Materials & Interfaces 14 (2022) 48212–48219. date_created: 2023-01-16T09:51:10Z date_published: 2022-10-14T00:00:00Z date_updated: 2023-10-04T08:28:14Z day: '14' department: - _id: MaIb doi: 10.1021/acsami.2c11627 external_id: isi: - '000873782700001' pmid: - '36239982' intvolume: ' 14' isi: 1 issue: '42' keyword: - General Materials Science language: - iso: eng month: '10' oa_version: None page: 48212-48219 pmid: 1 publication: ACS Applied Materials & Interfaces publication_identifier: eissn: - 1944-8252 issn: - 1944-8244 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: CoFeNiMnZnB as a high-entropy metal boride to boost the oxygen evolution reaction type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 14 year: '2022' ... --- _id: '13991' abstract: - lang: eng text: The prediction and realization of topological insulators have sparked great interest in experimental approaches to the classification of materials1,2,3. The phase transition between non-trivial and trivial topological states is important, not only for basic materials science but also for next-generation technology, such as dissipation-free electronics4. It is therefore crucial to develop advanced probes that are suitable for a wide range of samples and environments. Here we demonstrate that circularly polarized laser-field-driven high-harmonic generation is distinctly sensitive to the non-trivial and trivial topological phases in the prototypical three-dimensional topological insulator bismuth selenide5. The phase transition is chemically initiated by reducing the spin–orbit interaction strength through the substitution of bismuth with indium atoms6,7. We find strikingly different high-harmonic responses of trivial and non-trivial topological surface states that manifest themselves as a conversion efficiency and elliptical dichroism that depend both on the driving laser ellipticity and the crystal orientation. The origins of the anomalous high-harmonic response are corroborated by calculations using the semiconductor optical Bloch equations with pairs of surface and bulk bands. As a purely optical approach, this method offers sensitivity to the electronic structure of the material, including its nonlinear response, and is compatible with a wide range of samples and sample environments. article_processing_charge: No article_type: original author: - first_name: Christian full_name: Heide, Christian last_name: Heide - first_name: Yuki full_name: Kobayashi, Yuki last_name: Kobayashi - first_name: Denitsa Rangelova full_name: Baykusheva, Denitsa Rangelova id: 71b4d059-2a03-11ee-914d-dfa3beed6530 last_name: Baykusheva - first_name: Deepti full_name: Jain, Deepti last_name: Jain - first_name: Jonathan A. full_name: Sobota, Jonathan A. last_name: Sobota - first_name: Makoto full_name: Hashimoto, Makoto last_name: Hashimoto - first_name: Patrick S. full_name: Kirchmann, Patrick S. last_name: Kirchmann - first_name: Seongshik full_name: Oh, Seongshik last_name: Oh - first_name: Tony F. full_name: Heinz, Tony F. last_name: Heinz - first_name: David A. full_name: Reis, David A. last_name: Reis - first_name: Shambhu full_name: Ghimire, Shambhu last_name: Ghimire citation: ama: Heide C, Kobayashi Y, Baykusheva DR, et al. Probing topological phase transitions using high-harmonic generation. Nature Photonics. 2022;16(9):620-624. doi:10.1038/s41566-022-01050-7 apa: Heide, C., Kobayashi, Y., Baykusheva, D. R., Jain, D., Sobota, J. A., Hashimoto, M., … Ghimire, S. (2022). Probing topological phase transitions using high-harmonic generation. Nature Photonics. Springer Nature. https://doi.org/10.1038/s41566-022-01050-7 chicago: Heide, Christian, Yuki Kobayashi, Denitsa Rangelova Baykusheva, Deepti Jain, Jonathan A. Sobota, Makoto Hashimoto, Patrick S. Kirchmann, et al. “Probing Topological Phase Transitions Using High-Harmonic Generation.” Nature Photonics. Springer Nature, 2022. https://doi.org/10.1038/s41566-022-01050-7. ieee: C. Heide et al., “Probing topological phase transitions using high-harmonic generation,” Nature Photonics, vol. 16, no. 9. Springer Nature, pp. 620–624, 2022. ista: Heide C, Kobayashi Y, Baykusheva DR, Jain D, Sobota JA, Hashimoto M, Kirchmann PS, Oh S, Heinz TF, Reis DA, Ghimire S. 2022. Probing topological phase transitions using high-harmonic generation. Nature Photonics. 16(9), 620–624. mla: Heide, Christian, et al. “Probing Topological Phase Transitions Using High-Harmonic Generation.” Nature Photonics, vol. 16, no. 9, Springer Nature, 2022, pp. 620–24, doi:10.1038/s41566-022-01050-7. short: C. Heide, Y. Kobayashi, D.R. Baykusheva, D. Jain, J.A. Sobota, M. Hashimoto, P.S. Kirchmann, S. Oh, T.F. Heinz, D.A. Reis, S. Ghimire, Nature Photonics 16 (2022) 620–624. date_created: 2023-08-09T13:07:51Z date_published: 2022-09-01T00:00:00Z date_updated: 2023-08-22T07:20:09Z day: '01' doi: 10.1038/s41566-022-01050-7 extern: '1' intvolume: ' 16' issue: '9' keyword: - Atomic and Molecular Physics - and Optics - Electronic - Optical and Magnetic Materials language: - iso: eng month: '09' oa_version: None page: 620-624 publication: Nature Photonics publication_identifier: eissn: - 1749-4893 issn: - 1749-4885 publication_status: published publisher: Springer Nature quality_controlled: '1' scopus_import: '1' status: public title: Probing topological phase transitions using high-harmonic generation type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 16 year: '2022' ... --- _id: '12278' abstract: - lang: eng text: Mercury telluride (HgTe) thin films with a critical thickness of 6.5 nm are predicted to possess a gapless Dirac-like band structure. We report a comprehensive study on gated and optically doped samples by magnetooptical spectroscopy in the THz range. The quasi-classical analysis of the cyclotron resonance allowed the mapping of the band dispersion of Dirac charge carriers in a broad range of electron and hole doping. A smooth transition through the charge neutrality point between Dirac holes and electrons was observed. An additional peak coming from a second type of holes with an almost density-independent mass of around 0.04m0 was detected in the hole-doping range and attributed to an asymmetric spin splitting of the Dirac cone. Spectroscopic evidence for disorder-induced band energy fluctuations could not be detected in present cyclotron resonance experiments. acknowledgement: "This work was supported by the Austrian Science Funds (W1243, I 3456-N27, I 5539-N).\r\nOpen Access Funding by the Austrian Science Fund (FWF)." article_number: '2492' article_processing_charge: Yes article_type: original author: - first_name: Alexey full_name: Shuvaev, Alexey last_name: Shuvaev - first_name: Uladzislau full_name: Dziom, Uladzislau id: 6A9A37C2-8C5C-11E9-AE53-F2FDE5697425 last_name: Dziom orcid: 0000-0002-1648-0999 - first_name: Jan full_name: Gospodarič, Jan last_name: Gospodarič - first_name: Elena G. full_name: Novik, Elena G. last_name: Novik - first_name: Alena A. full_name: Dobretsova, Alena A. last_name: Dobretsova - first_name: Nikolay N. full_name: Mikhailov, Nikolay N. last_name: Mikhailov - first_name: Ze Don full_name: Kvon, Ze Don last_name: Kvon - first_name: Andrei full_name: Pimenov, Andrei last_name: Pimenov citation: ama: Shuvaev A, Dziom V, Gospodarič J, et al. Band structure near the Dirac Point in HgTe quantum wells with critical thickness. Nanomaterials. 2022;12(14). doi:10.3390/nano12142492 apa: Shuvaev, A., Dziom, V., Gospodarič, J., Novik, E. G., Dobretsova, A. A., Mikhailov, N. N., … Pimenov, A. (2022). Band structure near the Dirac Point in HgTe quantum wells with critical thickness. Nanomaterials. MDPI. https://doi.org/10.3390/nano12142492 chicago: Shuvaev, Alexey, Vlad Dziom, Jan Gospodarič, Elena G. Novik, Alena A. Dobretsova, Nikolay N. Mikhailov, Ze Don Kvon, and Andrei Pimenov. “Band Structure near the Dirac Point in HgTe Quantum Wells with Critical Thickness.” Nanomaterials. MDPI, 2022. https://doi.org/10.3390/nano12142492. ieee: A. Shuvaev et al., “Band structure near the Dirac Point in HgTe quantum wells with critical thickness,” Nanomaterials, vol. 12, no. 14. MDPI, 2022. ista: Shuvaev A, Dziom V, Gospodarič J, Novik EG, Dobretsova AA, Mikhailov NN, Kvon ZD, Pimenov A. 2022. Band structure near the Dirac Point in HgTe quantum wells with critical thickness. Nanomaterials. 12(14), 2492. mla: Shuvaev, Alexey, et al. “Band Structure near the Dirac Point in HgTe Quantum Wells with Critical Thickness.” Nanomaterials, vol. 12, no. 14, 2492, MDPI, 2022, doi:10.3390/nano12142492. short: A. Shuvaev, V. Dziom, J. Gospodarič, E.G. Novik, A.A. Dobretsova, N.N. Mikhailov, Z.D. Kvon, A. Pimenov, Nanomaterials 12 (2022). date_created: 2023-01-16T10:02:31Z date_published: 2022-07-20T00:00:00Z date_updated: 2025-06-11T13:45:36Z day: '20' ddc: - '530' department: - _id: ZhAl doi: 10.3390/nano12142492 external_id: isi: - '000834401600001' pmid: - '35889716' file: - access_level: open_access checksum: efad6742f89f39a18bec63116dd689a0 content_type: application/pdf creator: dernst date_created: 2023-01-30T11:16:54Z date_updated: 2023-01-30T11:16:54Z file_id: '12459' file_name: 2022_Nanomaterials_Shuvaev.pdf file_size: 464840 relation: main_file success: 1 file_date_updated: 2023-01-30T11:16:54Z has_accepted_license: '1' intvolume: ' 12' isi: 1 issue: '14' keyword: - General Materials Science - General Chemical Engineering language: - iso: eng month: '07' oa: 1 oa_version: Published Version pmid: 1 publication: Nanomaterials publication_identifier: issn: - 2079-4991 publication_status: published publisher: MDPI quality_controlled: '1' scopus_import: '1' status: public title: Band structure near the Dirac Point in HgTe quantum wells with critical thickness tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 12 year: '2022' ...