[{"acknowledgement":"Elettra-Sincrotrone Trieste S.C.p.A. and its staff are acknowledged for providing synchrotron radiation beamtime and laboratory facilities, in particular the MCX and XAFS beamlines, where the XRD and XAS experiments have been carried out, supported by the projects number: 20217082, 20205109, and 20195014. This study was carried out within the MOST─Sustainable Mobility Center and received funding from the European Union Next-Generation EU (PIANO NAZIONALE DI RIPRESA E RESILIENZA (PNRR)─MISSIONE 4 COMPONENTE 2, INVESTIMENTO 1.4─D.D. 1033 17/06/2022, CN00000023). Moreover, the contribution of S.B. and A.C. to this study was carried out within the NEST─Network for Energy Sustainable Transition and received funding from the European Union Next-Generation EU (PNRR─MISSIONE 4 COMPONENTE 2, INVESTIMENTO 1.3─D.D. 1561 11/10/2022, B53C22004070006). This manuscript reflects only the authors’ views and opinions, neither the European Union nor the European Commission can be considered responsible for them. Two of us, S.B. and S.A.F., would like to thank the Alistore ERI. L.S. received funds from the Ministry of Ecological Transition in the “Ricerca di Sistema Elettrico” framework. S.A.F. is indebted to ISTA for support. The Scientific Service Units of ISTA supported this research through resources provided by the Lab Support Facility and the Miba Machine Shop.","language":[{"iso":"eng"}],"fulldoi":"https://doi.org/10.1021/acsaem.5c03511","abstract":[{"lang":"eng","text":"Formation during the first cycles of Li-rich layered oxide (LRLO) cathode materials consolidates the interphase and leads to structural changes that are decisive for long-term cyclability. However, the nature and effect of the changes are material-dependent and unknown for the important class of Co-free, Ni-poor LRLOs. Here, we analyze the processes during the tailored formation procedure of a typical class member, Li1.28Ni0.15Mn0.57O2, and demonstrate that it remarkably changes lattice composition and structure as a prerequisite for stable cycling. We combine electrochemistry, operando mass spectrometry, X-ray diffraction, and X-ray absorption spectroscopy with density functional theory simulations. Activation most prominently compresses the layer spacing along the c-axis and increases reversible structural breathing. The large capacity of ∼250 mAh g–1 originates from the Ni2+/Ni4+ and O2–/O– redox couples. Electron exchange during O-redox is smeared over the entire anionic sublattice rather than localized on specific oxygen atomic sites. This redox mechanism is reversible without detrimental oxygen evolution, avoiding continued degradation common in conventional LRLOs. Sequential Ni- and O-redox during activation irreversibly distorts the coordination of the redox-inactive Mn4+ centers. This structural evolution of the MnO6 octahedra appears to enable the superior electrochemical performance of this LRLO phase. These findings define an activation pathway for the important class of Co-free, Ni-poor LRLOs, offering potential guidance for the rational design of high-performance, more sustainable cathode materials."}],"department":[{"_id":"StFr"}],"date_published":"2026-01-12T00:00:00Z","tmp":{"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)","image":"/images/cc_by.png"},"file":[{"creator":"dernst","file_size":5977526,"file_name":"2026_AppliedEnergyMaterials_Busato.pdf","relation":"main_file","checksum":"81272c19df41c696c1737168d3ea8c16","access_level":"open_access","date_created":"2026-02-12T13:55:28Z","success":1,"date_updated":"2026-02-12T13:55:28Z","file_id":"21222","content_type":"application/pdf"}],"volume":9,"year":"2026","publisher":"American Chemical Society","has_accepted_license":"1","date_updated":"2026-02-12T14:04:04Z","author":[{"first_name":"Matteo","last_name":"Busato","full_name":"Busato, Matteo"},{"full_name":"Tuccillo, Mariarosaria","last_name":"Tuccillo","first_name":"Mariarosaria"},{"last_name":"Celeste","full_name":"Celeste, Arcangelo","first_name":"Arcangelo"},{"first_name":"Alessandro","last_name":"Tofoni","full_name":"Tofoni, Alessandro"},{"first_name":"Laura","full_name":"Silvestri, Laura","last_name":"Silvestri"},{"full_name":"D’Angelo, Paola","last_name":"D’Angelo","first_name":"Paola"},{"orcid":"0000-0003-2902-5319","last_name":"Freunberger","full_name":"Freunberger, Stefan Alexander","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","first_name":"Stefan Alexander"},{"first_name":"Sergio","full_name":"Brutti, Sergio","last_name":"Brutti"}],"OA_place":"publisher","scopus_import":"1","publication_status":"published","publication_identifier":{"eissn":["2574-0962"]},"PlanS_conform":"1","corr_author":"1","oa_version":"Published Version","oa":1,"day":"12","article_type":"original","quality_controlled":"1","acknowledged_ssus":[{"_id":"M-Shop"},{"_id":"LifeSc"}],"publication":"ACS Applied Energy Materials","_id":"21040","date_created":"2026-01-25T23:01:40Z","file_date_updated":"2026-02-12T13:55:28Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","title":"Structural rearrangements of a Cobalt-free Lithium-rich layered oxide cathode during formation","article_processing_charge":"Yes (via OA deal)","ddc":["540"],"intvolume":"         9","doi":"10.1021/acsaem.5c03511","page":"686-697","type":"journal_article","issue":"1","citation":{"mla":"Busato, Matteo, et al. “Structural Rearrangements of a Cobalt-Free Lithium-Rich Layered Oxide Cathode during Formation.” <i>ACS Applied Energy Materials</i>, vol. 9, no. 1, American Chemical Society, 2026, pp. 686–97, doi:<a href=\"https://doi.org/10.1021/acsaem.5c03511\">10.1021/acsaem.5c03511</a>.","ieee":"M. Busato <i>et al.</i>, “Structural rearrangements of a Cobalt-free Lithium-rich layered oxide cathode during formation,” <i>ACS Applied Energy Materials</i>, vol. 9, no. 1. American Chemical Society, pp. 686–697, 2026.","apa":"Busato, M., Tuccillo, M., Celeste, A., Tofoni, A., Silvestri, L., D’Angelo, P., … Brutti, S. (2026). Structural rearrangements of a Cobalt-free Lithium-rich layered oxide cathode during formation. <i>ACS Applied Energy Materials</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsaem.5c03511\">https://doi.org/10.1021/acsaem.5c03511</a>","chicago":"Busato, Matteo, Mariarosaria Tuccillo, Arcangelo Celeste, Alessandro Tofoni, Laura Silvestri, Paola D’Angelo, Stefan Alexander Freunberger, and Sergio Brutti. “Structural Rearrangements of a Cobalt-Free Lithium-Rich Layered Oxide Cathode during Formation.” <i>ACS Applied Energy Materials</i>. American Chemical Society, 2026. <a href=\"https://doi.org/10.1021/acsaem.5c03511\">https://doi.org/10.1021/acsaem.5c03511</a>.","short":"M. Busato, M. Tuccillo, A. Celeste, A. Tofoni, L. Silvestri, P. D’Angelo, S.A. Freunberger, S. Brutti, ACS Applied Energy Materials 9 (2026) 686–697.","ista":"Busato M, Tuccillo M, Celeste A, Tofoni A, Silvestri L, D’Angelo P, Freunberger SA, Brutti S. 2026. Structural rearrangements of a Cobalt-free Lithium-rich layered oxide cathode during formation. ACS Applied Energy Materials. 9(1), 686–697.","ama":"Busato M, Tuccillo M, Celeste A, et al. Structural rearrangements of a Cobalt-free Lithium-rich layered oxide cathode during formation. <i>ACS Applied Energy Materials</i>. 2026;9(1):686-697. doi:<a href=\"https://doi.org/10.1021/acsaem.5c03511\">10.1021/acsaem.5c03511</a>"},"status":"public","month":"01","OA_type":"hybrid"},{"citation":{"apa":"Mondal, M., Ghorai, P., Samadder, A., Freunberger, S. A., &#38; Banerjee, P. (2026). H2O2 responsive rhodamine-based probe for monitoring early-stage diabetes diagnosis. <i>Journal of Materials Chemistry B</i>. Royal Society of Chemistry. <a href=\"https://doi.org/10.1039/d5tb02687c\">https://doi.org/10.1039/d5tb02687c</a>","mla":"Mondal, Moumita, et al. “H2O2 Responsive Rhodamine-Based Probe for Monitoring Early-Stage Diabetes Diagnosis.” <i>Journal of Materials Chemistry B</i>, vol. 14, no. 17, Royal Society of Chemistry, 2026, pp. 5314–22, doi:<a href=\"https://doi.org/10.1039/d5tb02687c\">10.1039/d5tb02687c</a>.","ieee":"M. Mondal, P. Ghorai, A. Samadder, S. A. Freunberger, and P. Banerjee, “H2O2 responsive rhodamine-based probe for monitoring early-stage diabetes diagnosis,” <i>Journal of Materials Chemistry B</i>, vol. 14, no. 17. Royal Society of Chemistry, pp. 5314–5322, 2026.","ista":"Mondal M, Ghorai P, Samadder A, Freunberger SA, Banerjee P. 2026. H2O2 responsive rhodamine-based probe for monitoring early-stage diabetes diagnosis. Journal of Materials Chemistry B. 14(17), 5314–5322.","ama":"Mondal M, Ghorai P, Samadder A, Freunberger SA, Banerjee P. H2O2 responsive rhodamine-based probe for monitoring early-stage diabetes diagnosis. <i>Journal of Materials Chemistry B</i>. 2026;14(17):5314-5322. doi:<a href=\"https://doi.org/10.1039/d5tb02687c\">10.1039/d5tb02687c</a>","chicago":"Mondal, Moumita, Pravat Ghorai, Asmita Samadder, Stefan Alexander Freunberger, and Priyabrata Banerjee. “H2O2 Responsive Rhodamine-Based Probe for Monitoring Early-Stage Diabetes Diagnosis.” <i>Journal of Materials Chemistry B</i>. Royal Society of Chemistry, 2026. <a href=\"https://doi.org/10.1039/d5tb02687c\">https://doi.org/10.1039/d5tb02687c</a>.","short":"M. Mondal, P. Ghorai, A. Samadder, S.A. Freunberger, P. Banerjee, Journal of Materials Chemistry B 14 (2026) 5314–5322."},"status":"public","OA_type":"closed access","month":"05","issue":"17","type":"journal_article","page":"5314-5322","doi":"10.1039/d5tb02687c","intvolume":"        14","article_processing_charge":"No","title":"H2O2 responsive rhodamine-based probe for monitoring early-stage diabetes diagnosis","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","dataavailabilitystatement":"The data supporting this article have been included as part of the supplementary information (SI). The supplementary information includes all spectral profiles, plots and tabulated data. See DOI: https://doi.org/10.1039/d5tb02687c.","date_created":"2026-04-13T07:45:26Z","publication":"Journal of Materials Chemistry B","_id":"21730","day":"06","article_type":"original","quality_controlled":"1","acknowledged_ssus":[{"_id":"LifeSc"}],"oa_version":"None","researchdata_availability":"yes","publication_identifier":{"eissn":["2050-7518"],"issn":["2050-750X"]},"corr_author":"1","scopus_import":"1","supplementarymaterial":"yes","author":[{"first_name":"Moumita","last_name":"Mondal","full_name":"Mondal, Moumita"},{"last_name":"Ghorai","full_name":"Ghorai, Pravat","first_name":"Pravat"},{"last_name":"Samadder","full_name":"Samadder, Asmita","first_name":"Asmita"},{"id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","first_name":"Stefan Alexander","orcid":"0000-0003-2902-5319","full_name":"Freunberger, Stefan Alexander","last_name":"Freunberger"},{"first_name":"Priyabrata","full_name":"Banerjee, Priyabrata","last_name":"Banerjee"}],"publication_status":"published","das_tickbox":"1","year":"2026","volume":14,"date_updated":"2026-07-27T12:36:05Z","publisher":"Royal Society of Chemistry","external_id":{"pmid":["41958432"]},"department":[{"_id":"StFr"}],"abstract":[{"lang":"eng","text":"Hydrogen peroxide (H2O2) is a crucial member of the reactive oxygen species (ROS) family, playing roles in cellular signalling and immune responses in human health. Moreover, it is a potential biomarker of diabetes when present in aberrant concentrations. Therefore, monitoring trace levels of H2O2 has become a research hotspot for analytical and sensor chemists. In this context, we report a rhodamine-based fluorescent probe (RN), which shows excellent fluorescent enhancement at 555 nm upon the addition of H2O2 along with a low limit of detection (LOD) of 0.67 ppm and fast response (∼2 min). The probe is highly selective for H2O2, showing no fluorescence enhancement with other ROS. RN is synthesised in a one-pot chemical reaction using rhodamine 6G (R6G) and 4,7,10-trioxa-1,13-tridecanediamine (TTDA). H2O2 detection in pre-treated milk samples proves its real-world viability. We found that RN shows low cytotoxicity, which allowed us to successfully explore its potential to monitor H2O2 generation in a diabetic L929 skin cell line and diabetic mice liver tissue. This result demonstrates promising features for assessing early diabetic progression through fluorescence imaging."}],"date_published":"2026-05-06T00:00:00Z","acknowledgement":"MM acknowledges the Government of India for DST-INSPIRE\r\nfellowship [IF200389] and Federal Ministry of Education, Science and Research (BMBWF) and the OeAD – Austria’s Agency for Education and Internationalisation for an Ernst Mach Grant, weltweit (grant number MPC-2024-01518) for research internship at ISTA. The Scientific Service Units of ISTA supported this research through resources provided by the Lab Support Facility. PG acknowledges the ANRF, India, for his NPDF fellowship (File no. PDF/2022/001960). PB acknowledges ANRF, India, for the SERB-CRG sponsored project GAP-240712 (vide reference no. CRG/2022/001679).","language":[{"iso":"eng"}],"pmid":1,"fulldoi":"https://doi.org/10.1039/d5tb02687c"},{"tmp":{"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)","image":"/images/cc_by.png"},"abstract":[{"lang":"eng","text":"Kontaktelektrifizierung tritt allgegenwärtig in der Natur auf, doch die Identität der Ladungsträger bleibt in den meisten Fällen unklar, mit Elektronen, Ionen oder nanoskopischen Materialfragmenten als mögliche Kandidaten. Ein Material, bei dem die übertragene Spezies mehr gewiss erscheint, sind Ionomere, d. h. Polymere mit mobilen Ionen, deren Ladung durch fest gebundene Gegenladungen ausgeglichen wird. Wenn Ionomere mit einer neutralen Oberfläche in Kontakt kommen, lädt sich diese mit dem Vorzeichen der mobilen Ionen auf, was stark auf Ionentransfer hindeutet. Der zugrundeliegende Mechanismus sowie die bestimmenden Einflussfaktoren dieses Transfers sind jedoch bislang nur unzureichend verstanden. In der vorliegenden Arbeit zeigen wir, dass die Bindungsaffinität zwischen den mobilen Ionen und dem Ionomer den Ladungstransfer maßgeblich bestimmt. Wir untersuchen Ionomere mit gebundenen Anionen und Kationen und erzeugen mittels Ionenaustausch Proben mit einer Reihe unterschiedlicher übertragbarer Ionen. Für das anionische Ionomer beobachten wir eine starke Abhängigkeit von der Bindungsaffinität, wobei mobile Kationen mit der höchsten Affinität am wenigsten Ladung übertragen. Eine schwächere, aber trotzdem klare Abhängigkeit wurde für das kationische Ionomer gemessen, welches der freien Hydratationsenergie der mobilen Anionen folgt. Mithilfe von optischer Emissionsspektroskopie mit induktiv gekoppeltem Plasma (ICP‐OES) bestätigen wir den Transfer von mobilen Ionen auf die Oberfläche der Gegenprobe. Unsere Ergebnisse bestätigen die Ladungsträgeridentität und den Mechanismus des Ladungstransfers bei ionomerischen Materialien, was auch für das allgemeine Verständnis von Kontaktelektrifizierung von Bedeutung sein könnte."}],"department":[{"_id":"StFr"},{"_id":"ScWa"}],"date_published":"2026-07-26T00:00:00Z","language":[{"iso":"ger"}],"acknowledgement":"Diese Forschung wurde durch die Scientific Service Units (SSU) des IST Austria unterstützt, durch Nutzung von Ressourcen der Lab Support Facility (LSF).\r\nOpen Access funding provided by Institute of Science and Technology Austria.","fulldoi":"https://doi.org/10.1002/ange.5487708","oa_version":"Published Version","researchdata_availability":"upon request","publication_identifier":{"eissn":["1521-3757"],"issn":["0044-8249"]},"corr_author":"1","author":[{"full_name":"Hoffman Jr, John R","last_name":"Hoffman Jr","first_name":"John R","id":"0cf4072c-94e2-11ee-bdf9-90a13138901e"},{"orcid":"0000-0003-2902-5319","last_name":"Freunberger","full_name":"Freunberger, Stefan Alexander","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","first_name":"Stefan Alexander"},{"orcid":"0000-0002-2299-3176","full_name":"Waitukaitis, Scott R","last_name":"Waitukaitis","id":"3A1FFC16-F248-11E8-B48F-1D18A9856A87","first_name":"Scott R"}],"scopus_import":"1","supplementarymaterial":"yes","OA_place":"publisher","publication_status":"epub_ahead","das_tickbox":"1","year":"2026","publisher":"Wiley","date_updated":"2026-07-29T11:00:05Z","has_accepted_license":"1","title":"Ionentransfer während der Ionomer Kontaktelektrifizierung: Bindungsaffinität steuert Aufladung","main_file_link":[{"url":"https://doi.org/10.1002/ange.5487708","open_access":"1"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","dataavailabilitystatement":"The data that support the findings of this study are available from the corresponding author upon reasonable request.","_id":"22601","publication":"Angewandte Chemie","date_created":"2026-07-28T18:03:20Z","oa":1,"article_type":"original","day":"26","quality_controlled":"1","acknowledged_ssus":[{"_id":"LifeSc"}],"month":"07","OA_type":"hybrid","citation":{"mla":"Hoffman Jr, John R., et al. “Ionentransfer während der Ionomer Kontaktelektrifizierung: Bindungsaffinität steuert Aufladung.” <i>Angewandte Chemie</i>, e5487708, Wiley, 2026, doi:<a href=\"https://doi.org/10.1002/ange.5487708\">10.1002/ange.5487708</a>.","ieee":"J. R. Hoffman Jr, S. A. Freunberger, and S. R. Waitukaitis, “Ionentransfer während der Ionomer Kontaktelektrifizierung: Bindungsaffinität steuert Aufladung,” <i>Angewandte Chemie</i>. Wiley, 2026.","apa":"Hoffman Jr, J. R., Freunberger, S. A., &#38; Waitukaitis, S. R. (2026). Ionentransfer während der Ionomer Kontaktelektrifizierung: Bindungsaffinität steuert Aufladung. <i>Angewandte Chemie</i>. Wiley. <a href=\"https://doi.org/10.1002/ange.5487708\">https://doi.org/10.1002/ange.5487708</a>","short":"J.R. Hoffman Jr, S.A. Freunberger, S.R. Waitukaitis, Angewandte Chemie (2026).","chicago":"Hoffman Jr, John R, Stefan Alexander Freunberger, and Scott R Waitukaitis. “Ionentransfer während der Ionomer Kontaktelektrifizierung: Bindungsaffinität steuert Aufladung.” <i>Angewandte Chemie</i>. Wiley, 2026. <a href=\"https://doi.org/10.1002/ange.5487708\">https://doi.org/10.1002/ange.5487708</a>.","ista":"Hoffman Jr JR, Freunberger SA, Waitukaitis SR. 2026. Ionentransfer während der Ionomer Kontaktelektrifizierung: Bindungsaffinität steuert Aufladung. Angewandte Chemie., e5487708.","ama":"Hoffman Jr JR, Freunberger SA, Waitukaitis SR. Ionentransfer während der Ionomer Kontaktelektrifizierung: Bindungsaffinität steuert Aufladung. <i>Angewandte Chemie</i>. 2026. doi:<a href=\"https://doi.org/10.1002/ange.5487708\">10.1002/ange.5487708</a>"},"status":"public","type":"journal_article","doi":"10.1002/ange.5487708","article_number":"e5487708","article_processing_charge":"No","ddc":["540"]},{"date_created":"2026-07-28T18:04:19Z","_id":"22602","publication":"Angewandte Chemie International Edition","day":"21","article_type":"original","quality_controlled":"1","oa":1,"acknowledged_ssus":[{"_id":"LifeSc"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","main_file_link":[{"url":"https://doi.org/10.1002/anie.5487708","open_access":"1"}],"title":"Ion transfer during ionomer contact electrification: Binding affinity controls charging","dataavailabilitystatement":"The data that support the findings of this study are available from the corresponding author upon reasonable request.","article_number":"e5487708","doi":"10.1002/anie.5487708","article_processing_charge":"Yes (via OA deal)","ddc":["540"],"citation":{"apa":"Hoffman Jr, J. R., Freunberger, S. A., &#38; Waitukaitis, S. R. (2026). Ion transfer during ionomer contact electrification: Binding affinity controls charging. <i>Angewandte Chemie International Edition</i>. Wiley. <a href=\"https://doi.org/10.1002/anie.5487708\">https://doi.org/10.1002/anie.5487708</a>","mla":"Hoffman Jr, John R., et al. “Ion Transfer during Ionomer Contact Electrification: Binding Affinity Controls Charging.” <i>Angewandte Chemie International Edition</i>, e5487708, Wiley, 2026, doi:<a href=\"https://doi.org/10.1002/anie.5487708\">10.1002/anie.5487708</a>.","ieee":"J. R. Hoffman Jr, S. A. Freunberger, and S. R. Waitukaitis, “Ion transfer during ionomer contact electrification: Binding affinity controls charging,” <i>Angewandte Chemie International Edition</i>. Wiley, 2026.","ama":"Hoffman Jr JR, Freunberger SA, Waitukaitis SR. Ion transfer during ionomer contact electrification: Binding affinity controls charging. <i>Angewandte Chemie International Edition</i>. 2026. doi:<a href=\"https://doi.org/10.1002/anie.5487708\">10.1002/anie.5487708</a>","ista":"Hoffman Jr JR, Freunberger SA, Waitukaitis SR. 2026. Ion transfer during ionomer contact electrification: Binding affinity controls charging. Angewandte Chemie International Edition., e5487708.","chicago":"Hoffman Jr, John R, Stefan Alexander Freunberger, and Scott R Waitukaitis. “Ion Transfer during Ionomer Contact Electrification: Binding Affinity Controls Charging.” <i>Angewandte Chemie International Edition</i>. Wiley, 2026. <a href=\"https://doi.org/10.1002/anie.5487708\">https://doi.org/10.1002/anie.5487708</a>.","short":"J.R. Hoffman Jr, S.A. Freunberger, S.R. Waitukaitis, Angewandte Chemie International Edition (2026)."},"OA_type":"hybrid","month":"07","status":"public","type":"journal_article","department":[{"_id":"StFr"},{"_id":"ScWa"}],"abstract":[{"lang":"eng","text":"Contact electrification occurs ubiquitously in nature, but the identity of charge carriers in most situations remains uncertain, with electrons, ions, or nanoscopic material fragments as viable candidates. One material where the species transferred seems more certain is ionomers, i.e., polymers that contain mobile ions balanced by fixed counter‐charges. When ionomers touch a neutral surface, the latter becomes charged in the sign of the mobile ion, strongly suggesting ion transfer. However, the mechanism and governing factors of transfer remain poorly understood. Here, we demonstrate that binding affinity between mobile ion and ionomer controls charge transfer with ionomers. We use ionomers with fixed anions and cations and perform ion exchange to create samples with a series of transferrable ions. We observe a strong binding‐affinity dependence for the anionic ionomer, such that mobile cations with the highest affinity transfers the least charge. Weaker, yet clear dependence was measured for the cationic ionomer, which follows the hydration free energy of the mobile anion. Using inductively coupled plasma optical emission spectroscopy (ICP‐OES), we confirm transfer of the mobile ions to the counter sample's surface. Our results confirm the identify and mechanism of charge transfer with ionomeric materials, with potential implications for contact electrification more broadly."}],"date_published":"2026-07-21T00:00:00Z","acknowledgement":"This research was supported by the Scientific Service Units (SSU) of IST-Austria through resources provided by the Lab Support Facility (LSF).\r\nOpen Access funding provided by Institute of Science and Technology Austria.","language":[{"iso":"eng"}],"pmid":1,"fulldoi":"https://doi.org/10.1002/anie.5487708","tmp":{"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)","image":"/images/cc_by.png"},"external_id":{"pmid":["42478784"]},"supplementarymaterial":"yes","scopus_import":"1","OA_place":"publisher","author":[{"first_name":"John R","id":"0cf4072c-94e2-11ee-bdf9-90a13138901e","full_name":"Hoffman Jr, John R","last_name":"Hoffman Jr"},{"first_name":"Stefan Alexander","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","last_name":"Freunberger","full_name":"Freunberger, Stefan Alexander","orcid":"0000-0003-2902-5319"},{"first_name":"Scott R","id":"3A1FFC16-F248-11E8-B48F-1D18A9856A87","full_name":"Waitukaitis, Scott R","last_name":"Waitukaitis","orcid":"0000-0002-2299-3176"}],"publication_status":"epub_ahead","das_tickbox":"1","year":"2026","date_updated":"2026-07-29T11:25:58Z","has_accepted_license":"1","publisher":"Wiley","researchdata_availability":"upon request","oa_version":"Published Version","publication_identifier":{"issn":["1433-7851"],"eissn":["1521-3773"]},"corr_author":"1"},{"publication":"Nature Materials","_id":"22769","date_created":"2026-08-26T18:48:33Z","day":"01","article_type":"comment","quality_controlled":"1","title":"Triggering conversion in vanadium electrodes","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","intvolume":"        25","doi":"10.1038/s41563-026-02714-3","page":"1482-1483","article_processing_charge":"No","month":"09","OA_type":"closed access","citation":{"apa":"Freunberger, S. A. (2026). Triggering conversion in vanadium electrodes. <i>Nature Materials</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s41563-026-02714-3\">https://doi.org/10.1038/s41563-026-02714-3</a>","mla":"Freunberger, Stefan Alexander. “Triggering Conversion in Vanadium Electrodes.” <i>Nature Materials</i>, vol. 25, no. 9, Springer Nature, 2026, pp. 1482–83, doi:<a href=\"https://doi.org/10.1038/s41563-026-02714-3\">10.1038/s41563-026-02714-3</a>.","ieee":"S. A. Freunberger, “Triggering conversion in vanadium electrodes,” <i>Nature Materials</i>, vol. 25, no. 9. Springer Nature, pp. 1482–1483, 2026.","ama":"Freunberger SA. Triggering conversion in vanadium electrodes. <i>Nature Materials</i>. 2026;25(9):1482-1483. doi:<a href=\"https://doi.org/10.1038/s41563-026-02714-3\">10.1038/s41563-026-02714-3</a>","ista":"Freunberger SA. 2026. Triggering conversion in vanadium electrodes. Nature Materials. 25(9), 1482–1483.","short":"S.A. Freunberger, Nature Materials 25 (2026) 1482–1483.","chicago":"Freunberger, Stefan Alexander. “Triggering Conversion in Vanadium Electrodes.” <i>Nature Materials</i>. Springer Nature, 2026. <a href=\"https://doi.org/10.1038/s41563-026-02714-3\">https://doi.org/10.1038/s41563-026-02714-3</a>."},"status":"public","type":"journal_article","issue":"9","date_published":"2026-09-01T00:00:00Z","abstract":[{"lang":"eng","text":"Using transition metals efficiently in aqueous batteries requires transferring multiple electrons per metal, which leads to difficult-to-manage conversion reactions. It is now shown how vanadium can be changed from one-electron insertion to four-electron conversion."}],"department":[{"_id":"StFr"}],"fulldoi":"https://doi.org/10.1038/s41563-026-02714-3","pmid":1,"language":[{"iso":"eng"}],"external_id":{"pmid":["42649374"]},"publication_status":"published","author":[{"orcid":"0000-0003-2902-5319","full_name":"Freunberger, Stefan Alexander","last_name":"Freunberger","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","first_name":"Stefan Alexander"}],"scopus_import":"1","supplementarymaterial":"not applicable","publisher":"Springer Nature","date_updated":"2026-09-09T07:17:13Z","volume":25,"das_tickbox":"0","year":"2026","oa_version":"None","researchdata_availability":"not applicable","corr_author":"1","publication_identifier":{"issn":["1476-1122"],"eissn":["1476-4660"]}},{"ddc":["530"],"article_processing_charge":"Yes","isi":1,"article_number":"eads3406","doi":"10.1126/sciadv.ads3406","intvolume":"        11","issue":"6","type":"journal_article","OA_type":"gold","citation":{"short":"I. Stepanenko, Z. Huang, L. Ungur, D. Bessas, A. Chumakov, I. Sergueev, G.E. Büchel, A.A. Al-Kahtani, L.F. Chibotaru, J. Telser, V.B. Arion, Science Advances 11 (2025).","chicago":"Stepanenko, Iryna, Zhishuo Huang, Liviu Ungur, Dimitrios Bessas, Aleksandr Chumakov, Ilya Sergueev, Gabriel E. Büchel, et al. “187Os Nuclear Resonance Scattering to Explore Hyperfine Interactions and Lattice Dynamics for Biological Applications.” <i>Science Advances</i>. AAAS, 2025. <a href=\"https://doi.org/10.1126/sciadv.ads3406\">https://doi.org/10.1126/sciadv.ads3406</a>.","ama":"Stepanenko I, Huang Z, Ungur L, et al. 187Os nuclear resonance scattering to explore hyperfine interactions and lattice dynamics for biological applications. <i>Science Advances</i>. 2025;11(6). doi:<a href=\"https://doi.org/10.1126/sciadv.ads3406\">10.1126/sciadv.ads3406</a>","ista":"Stepanenko I, Huang Z, Ungur L, Bessas D, Chumakov A, Sergueev I, Büchel GE, Al-Kahtani AA, Chibotaru LF, Telser J, Arion VB. 2025. 187Os nuclear resonance scattering to explore hyperfine interactions and lattice dynamics for biological applications. Science Advances. 11(6), eads3406.","mla":"Stepanenko, Iryna, et al. “187Os Nuclear Resonance Scattering to Explore Hyperfine Interactions and Lattice Dynamics for Biological Applications.” <i>Science Advances</i>, vol. 11, no. 6, eads3406, AAAS, 2025, doi:<a href=\"https://doi.org/10.1126/sciadv.ads3406\">10.1126/sciadv.ads3406</a>.","ieee":"I. Stepanenko <i>et al.</i>, “187Os nuclear resonance scattering to explore hyperfine interactions and lattice dynamics for biological applications,” <i>Science Advances</i>, vol. 11, no. 6. AAAS, 2025.","apa":"Stepanenko, I., Huang, Z., Ungur, L., Bessas, D., Chumakov, A., Sergueev, I., … Arion, V. B. (2025). 187Os nuclear resonance scattering to explore hyperfine interactions and lattice dynamics for biological applications. <i>Science Advances</i>. AAAS. <a href=\"https://doi.org/10.1126/sciadv.ads3406\">https://doi.org/10.1126/sciadv.ads3406</a>"},"month":"02","status":"public","oa":1,"quality_controlled":"1","article_type":"original","day":"07","_id":"19282","publication":"Science Advances","file_date_updated":"2025-03-04T09:52:02Z","date_created":"2025-03-02T23:01:53Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","title":"187Os nuclear resonance scattering to explore hyperfine interactions and lattice dynamics for biological applications","publisher":"AAAS","has_accepted_license":"1","date_updated":"2026-02-23T08:05:58Z","volume":11,"year":"2025","publication_status":"published","DOAJ_listed":"1","author":[{"first_name":"Iryna","id":"2a1f3914-89ea-11ee-b4f9-b6c903344e34","full_name":"Stepanenko, Iryna","last_name":"Stepanenko"},{"full_name":"Huang, Zhishuo","last_name":"Huang","first_name":"Zhishuo"},{"first_name":"Liviu","last_name":"Ungur","full_name":"Ungur, Liviu"},{"first_name":"Dimitrios","full_name":"Bessas, Dimitrios","last_name":"Bessas"},{"first_name":"Aleksandr","full_name":"Chumakov, Aleksandr","last_name":"Chumakov"},{"first_name":"Ilya","full_name":"Sergueev, Ilya","last_name":"Sergueev"},{"full_name":"Büchel, Gabriel E.","last_name":"Büchel","first_name":"Gabriel E."},{"last_name":"Al-Kahtani","full_name":"Al-Kahtani, Abdullah A.","first_name":"Abdullah A."},{"full_name":"Chibotaru, Liviu F.","last_name":"Chibotaru","first_name":"Liviu F."},{"first_name":"Joshua","full_name":"Telser, Joshua","last_name":"Telser"},{"first_name":"Vladimir B.","full_name":"Arion, Vladimir B.","last_name":"Arion"}],"OA_place":"publisher","scopus_import":"1","publication_identifier":{"eissn":["2375-2548"]},"oa_version":"Published Version","fulldoi":"https://doi.org/10.1126/sciadv.ads3406","pmid":1,"acknowledgement":"The European Synchrotron Radiation Facility is acknowledged for providing synchrotron radiation beamtime at the Nuclear Resonance beamlines ID18 and ID14. The technical assistance of J.-P. Celse is acknowledged during the beamtime at the ESRF. V.B.A. and G.E.B. are thankful to Karl Mayer Stiftung (Triesen, Liechtenstein) and Valüna Stiftung (Vaduz, Liechtenstein) for financial support in purchasing the 187Os metal. We are also thankful to A. Dobrov for help in the synthesis of 187OsO4 from 187Os. Ab initio calculations were done on the ASPIRE-2A cluster (www.nscc.sg) under computational projects 11001278, 11003762, 51000267, and 11003763. This work used computational resources of the supercomputer Fugaku provided by RIKEN/NSCC through the HPCI System Research Project (project ID: hp240202). The computational resources of the HPC-NUS are gratefully acknowledged.\r\nThis work was supported by the Austrian Science Fund (FWF) grant I4729 (V.B.A.), King Saud University Researchers Supporting Project no. RSP2025R266 (L.F.C. and A.A.A.-K.), and National University of Singapore research projects A-8000709-00-00, A-8000017-00-00, and A-8001894-00-00 (Z.H. and L.U.).","language":[{"iso":"eng"}],"date_published":"2025-02-07T00:00:00Z","abstract":[{"lang":"eng","text":"Osmium complexes with osmium in different oxidation states (II, III, IV, and VI) have been reported to exhibit antiproliferative activity in cancer cell lines. Herein, we demonstrate unexplored opportunities offered by 187Os nuclear forward scattering (NFS) and nuclear inelastic scattering (NIS) of synchrotron radiation for characterization of hyperfine interactions and lattice dynamics in a benchmark Os(VI) complex, K2[OsO2(OH)4]. We determined the isomer shift [δ = 3.3(1) millimeters per second] relative to [OsIVCl6]2− and quadrupole splitting [ΔEQ = 12.0(2) millimeters per second] with NFS. We estimated the Lamb-Mössbauer factor [0.80(4)], extracted the density of phonon states, and carried out a thermodynamics characterization using the NIS data combined with first-principles calculations. Overall, we provide evidence that 187Os nuclear resonance scattering is a reliable technique for the investigation of hyperfine interactions and Os-specific vibrations in osmium(VI) species and is thus applicable for such measurements in osmium complexes of other oxidation states, including those with anticancer activity such as Os(III) and Os(IV)."}],"department":[{"_id":"StFr"}],"external_id":{"pmid":["39919179"],"isi":["001416079000003"]},"tmp":{"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)","image":"/images/cc_by.png"},"file":[{"creator":"dernst","file_size":1385761,"date_created":"2025-03-04T09:52:02Z","checksum":"ae8f7e9914e4d2549ed9578e58a10c3c","access_level":"open_access","relation":"main_file","file_name":"2025_ScienceAdvance_Stepanenko.pdf","content_type":"application/pdf","file_id":"19287","success":1,"date_updated":"2025-03-04T09:52:02Z"}]},{"publication_identifier":{"eissn":["2380-8195"]},"PlanS_conform":"1","oa_version":"Published Version","year":"2025","volume":10,"date_updated":"2025-12-01T15:11:44Z","has_accepted_license":"1","publisher":"American Chemical Society","scopus_import":"1","OA_place":"publisher","author":[{"first_name":"Pronoy","last_name":"Dutta","full_name":"Dutta, Pronoy"},{"full_name":"Von Mentlen, Jean Marc","last_name":"Von Mentlen","first_name":"Jean Marc"},{"id":"d25d21ef-dc8d-11ea-abe3-ec4576307f48","first_name":"Soumyadip","full_name":"Mondal, Soumyadip","last_name":"Mondal"},{"full_name":"Kostoglou, Nikolaos","last_name":"Kostoglou","first_name":"Nikolaos"},{"last_name":"Wilts","full_name":"Wilts, Bodo D.","first_name":"Bodo D."},{"id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","first_name":"Stefan Alexander","orcid":"0000-0003-2902-5319","full_name":"Freunberger, Stefan Alexander","last_name":"Freunberger"},{"first_name":"Gregor A.","last_name":"Zickler","full_name":"Zickler, Gregor A."},{"last_name":"Prehal","full_name":"Prehal, Christian","first_name":"Christian"}],"publication_status":"published","tmp":{"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)","image":"/images/cc_by.png"},"external_id":{"isi":["001600396000001"]},"file":[{"creator":"dernst","file_size":9307654,"access_level":"open_access","checksum":"368eb041c395a5155218f858947df419","date_created":"2025-11-04T07:56:19Z","relation":"main_file","file_name":"2025_ACSEnergyLetters_Dutta.pdf","content_type":"application/pdf","file_id":"20597","date_updated":"2025-11-04T07:56:19Z","success":1}],"acknowledgement":"This work was funded by the European Union (ERC-2022-STG, SOLIDCON, 101078271). Views and opinions expressed are, however, those of the authors only and do not necessarily reflect those of the European Union or the European Research Council Executive Agency. Neither the European Union nor the granting authority can be held responsible for them. TEM measurements were carried out on a JEOL JEM F200 TEM equipped with an energy filter funded by the FFG (grant number 37120633). The authors thank Klara Neumayr, Ayca Senol Güngör, and Lorenz Gruber for valuable discussions and support with lab work. N.K. thanks Oskar Paris from Montanuniversität Leoben for providing access to the gas sorption analyzer.","language":[{"iso":"eng"}],"fulldoi":"https://doi.org/10.1021/acsenergylett.5c02093","department":[{"_id":"StFr"}],"abstract":[{"lang":"eng","text":"“Quasi-solid-state” conversion mechanisms using sparingly solvating electrolytes (SPSEs) bridge the gap between traditional solid–liquid–solid and solid-state sulfur conversion in lithium–sulfur (Li–S) batteries. Although these terms are commonly used, their precise distinctions and impacts on key performance metrics, such as rate capability, energy density, and capacity fading, remain poorly understood. In this work, we employ operando small- and wide-angle X-ray scattering alongside cryogenic transmission electron microscopy (cryo-TEM) to compare Li–S batteries in sparingly solvating and solvating ether-based electrolytes. We find that, unlike solvating electrolytes, SPSEs lead to an extended presence of lithium sulfide during cycling, coexisting with sulfur at a 50% state of charge and beyond. In the charged state, solid sulfur is present in its amorphous form inside the carbon black nanopores. These findings indicate that the limited solubility confines polysulfides in regions near the carbon surface, where these polysulfides enable conversion between the coexisting solid discharge and charge product."}],"date_published":"2025-10-25T00:00:00Z","type":"journal_article","citation":{"ieee":"P. Dutta <i>et al.</i>, “Bridging solution and solid-state mechanism: Confined quasi-solid-state conversion in Li–S batteries,” <i>ACS Energy Letters</i>, vol. 10. American Chemical Society, pp. 5722–5732, 2025.","mla":"Dutta, Pronoy, et al. “Bridging Solution and Solid-State Mechanism: Confined Quasi-Solid-State Conversion in Li–S Batteries.” <i>ACS Energy Letters</i>, vol. 10, American Chemical Society, 2025, pp. 5722–32, doi:<a href=\"https://doi.org/10.1021/acsenergylett.5c02093\">10.1021/acsenergylett.5c02093</a>.","apa":"Dutta, P., Von Mentlen, J. M., Mondal, S., Kostoglou, N., Wilts, B. D., Freunberger, S. A., … Prehal, C. (2025). Bridging solution and solid-state mechanism: Confined quasi-solid-state conversion in Li–S batteries. <i>ACS Energy Letters</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsenergylett.5c02093\">https://doi.org/10.1021/acsenergylett.5c02093</a>","chicago":"Dutta, Pronoy, Jean Marc Von Mentlen, Soumyadip Mondal, Nikolaos Kostoglou, Bodo D. Wilts, Stefan Alexander Freunberger, Gregor A. Zickler, and Christian Prehal. “Bridging Solution and Solid-State Mechanism: Confined Quasi-Solid-State Conversion in Li–S Batteries.” <i>ACS Energy Letters</i>. American Chemical Society, 2025. <a href=\"https://doi.org/10.1021/acsenergylett.5c02093\">https://doi.org/10.1021/acsenergylett.5c02093</a>.","short":"P. Dutta, J.M. Von Mentlen, S. Mondal, N. Kostoglou, B.D. Wilts, S.A. Freunberger, G.A. Zickler, C. Prehal, ACS Energy Letters 10 (2025) 5722–5732.","ista":"Dutta P, Von Mentlen JM, Mondal S, Kostoglou N, Wilts BD, Freunberger SA, Zickler GA, Prehal C. 2025. Bridging solution and solid-state mechanism: Confined quasi-solid-state conversion in Li–S batteries. ACS Energy Letters. 10, 5722–5732.","ama":"Dutta P, Von Mentlen JM, Mondal S, et al. Bridging solution and solid-state mechanism: Confined quasi-solid-state conversion in Li–S batteries. <i>ACS Energy Letters</i>. 2025;10:5722-5732. doi:<a href=\"https://doi.org/10.1021/acsenergylett.5c02093\">10.1021/acsenergylett.5c02093</a>"},"month":"10","OA_type":"hybrid","status":"public","isi":1,"article_processing_charge":"Yes (in subscription journal)","ddc":["540"],"page":"5722-5732","intvolume":"        10","doi":"10.1021/acsenergylett.5c02093","title":"Bridging solution and solid-state mechanism: Confined quasi-solid-state conversion in Li–S batteries","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","related_material":{"link":[{"relation":"software","url":" https://doi.org/10.5281/zenodo.17144229"}]},"article_type":"letter_note","day":"25","quality_controlled":"1","oa":1,"file_date_updated":"2025-11-04T07:56:19Z","date_created":"2025-11-02T23:01:35Z","publication":"ACS Energy Letters","_id":"20593"},{"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","title":"Marcus kinetics control singlet and triplet oxygen evolving from superoxide","project":[{"name":"Singlet oxygen in non-aqueous oxygen redox chemistry","_id":"8df062be-16d5-11f0-9cad-f559b6612c7e","grant_number":"P37169"},{"name":"Tools for automation and feedback microscopy","_id":"c08e9ad1-5a5b-11eb-8a69-9d1cf3b07473","grant_number":"CZI01"},{"name":"Materials for Energy Conversion and Storage (Freunberger)","_id":"5eaf4378-b033-11f1-b276-f928018a46c1","grant_number":"COE05"}],"acknowledged_ssus":[{"_id":"Bio"},{"_id":"LifeSc"},{"_id":"M-Shop"},{"_id":"ScienComp"}],"oa":1,"quality_controlled":"1","related_material":{"link":[{"relation":"press_release","url":"https://ista.ac.at/en/news/taming-the-bad-oxygen/","description":"News on ISTA website"}]},"article_type":"original","day":"16","publication":"Nature","_id":"17468","date_created":"2024-08-29T10:40:23Z","file_date_updated":"2025-10-20T10:26:13Z","issue":"8085","type":"journal_article","OA_type":"hybrid","citation":{"chicago":"Mondal, Soumyadip, Huyen T.K. Nguyen, Robert Hauschild, and Stefan Alexander Freunberger. “Marcus Kinetics Control Singlet and Triplet Oxygen Evolving from Superoxide.” <i>Nature</i>. Springer Nature, 2025. <a href=\"https://doi.org/10.1038/s41586-025-09587-7\">https://doi.org/10.1038/s41586-025-09587-7</a>.","short":"S. Mondal, H.T.K. Nguyen, R. Hauschild, S.A. Freunberger, Nature 646 (2025) 601–605.","ama":"Mondal S, Nguyen HTK, Hauschild R, Freunberger SA. Marcus kinetics control singlet and triplet oxygen evolving from superoxide. <i>Nature</i>. 2025;646(8085):601–605. doi:<a href=\"https://doi.org/10.1038/s41586-025-09587-7\">10.1038/s41586-025-09587-7</a>","ista":"Mondal S, Nguyen HTK, Hauschild R, Freunberger SA. 2025. Marcus kinetics control singlet and triplet oxygen evolving from superoxide. Nature. 646(8085), 601–605.","mla":"Mondal, Soumyadip, et al. “Marcus Kinetics Control Singlet and Triplet Oxygen Evolving from Superoxide.” <i>Nature</i>, vol. 646, no. 8085, Springer Nature, 2025, pp. 601–605, doi:<a href=\"https://doi.org/10.1038/s41586-025-09587-7\">10.1038/s41586-025-09587-7</a>.","ieee":"S. Mondal, H. T. K. Nguyen, R. Hauschild, and S. A. Freunberger, “Marcus kinetics control singlet and triplet oxygen evolving from superoxide,” <i>Nature</i>, vol. 646, no. 8085. Springer Nature, pp. 601–605, 2025.","apa":"Mondal, S., Nguyen, H. T. K., Hauschild, R., &#38; Freunberger, S. A. (2025). Marcus kinetics control singlet and triplet oxygen evolving from superoxide. <i>Nature</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s41586-025-09587-7\">https://doi.org/10.1038/s41586-025-09587-7</a>"},"month":"10","status":"public","ddc":["540"],"article_processing_charge":"Yes (via OA deal)","isi":1,"intvolume":"       646","doi":"10.1038/s41586-025-09587-7","page":"601–605","external_id":{"pmid":["41044415"],"isi":["001586378900001"]},"tmp":{"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)","image":"/images/cc_by.png"},"file":[{"file_size":3809247,"creator":"dernst","success":1,"file_id":"20500","date_updated":"2025-10-20T10:26:13Z","content_type":"application/pdf","file_name":"2025_Nature_Mondal.pdf","relation":"main_file","date_created":"2025-10-20T10:26:13Z","access_level":"open_access","checksum":"b507ddd23df0388aa65d04dc9b00fe3d"}],"fulldoi":"https://doi.org/10.1038/s41586-025-09587-7","pmid":1,"language":[{"iso":"eng"}],"acknowledgement":"S.A.F. thanks the Institute of Science and Technology Austria (ISTA) for the support. The Scientific Service Units of ISTA supported this research through resources provided by the Imaging and Optics Facility, the Lab Support Facility, the Miba Machine Shop and Scientific Computing. This research was partly funded by the Austrian Science Fund (FWF) (10.55776/P37169 and 10.55776/COE5). For open access purposes, the author has applied for a CC BY public copyright licence to any author-accepted manuscript version arising from this submission. R.H. acknowledges funding through CZI grant DAF2020-225401 (10.37921/120055ratwvi) from the Chan Zuckerberg Initiative DAF, an advised fund of Silicon Valley Community Foundation (10.13039/100014989). H.T.K.N. acknowledges funding by the European Commission Erasmus Mundus Joint Masters programme. We thank M. Sixt and M. Chinon for the discussions about O-redox in life and R. Jethwa for proofreading. Open access funding was provided by ISTA.","date_published":"2025-10-16T00:00:00Z","abstract":[{"text":"Oxygen redox chemistry is central to life1 and many human-made technologies, such as in energy storage2,3,4. The large energy gain from oxygen redox reactions is often connected with the occurrence of harmful reactive oxygen species3,5,6. Key species are superoxide and the highly reactive singlet oxygen3,4,5,6,7, which may evolve from superoxide. However, the factors determining the formation of singlet oxygen, rather than the relatively unreactive triplet oxygen, are unknown. Here we report that the release of triplet or singlet oxygen is governed by individual Marcus normal and inverted region behaviour. We found that as the driving force for the reaction increases, the initially dominant evolution of triplet oxygen slows down, and singlet oxygen evolution becomes predominant with higher maximum kinetics. This behaviour also applies to the widely observed superoxide disproportionation, in which one superoxide is oxidized by another, in both non-aqueous and aqueous systems, with Lewis and Brønsted acidity controlling the driving forces. Singlet oxygen yields governed by these conditions are relevant, for example, in batteries or cellular organelles in which superoxide forms. Our findings suggest ways to understand and control spin states and kinetics in oxygen redox chemistry, with implications for fields, including life sciences, pure chemistry and energy storage.","lang":"eng"}],"department":[{"_id":"StFr"},{"_id":"Bio"}],"PlanS_conform":"1","corr_author":"1","publication_identifier":{"eissn":["1476-4687"],"issn":["0028-0836"]},"oa_version":"Published Version","publisher":"Springer Nature","has_accepted_license":"1","date_updated":"2026-09-16T06:53:54Z","volume":646,"year":"2025","publication_status":"published","author":[{"first_name":"Soumyadip","id":"d25d21ef-dc8d-11ea-abe3-ec4576307f48","full_name":"Mondal, Soumyadip","last_name":"Mondal"},{"full_name":"Nguyen, Huyen T.K.","last_name":"Nguyen","first_name":"Huyen T.K."},{"id":"4E01D6B4-F248-11E8-B48F-1D18A9856A87","first_name":"Robert","orcid":"0000-0001-9843-3522","last_name":"Hauschild","full_name":"Hauschild, Robert"},{"orcid":"0000-0003-2902-5319","last_name":"Freunberger","full_name":"Freunberger, Stefan Alexander","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","first_name":"Stefan Alexander"}],"scopus_import":"1","OA_place":"publisher"},{"oa_version":"Published Version","publication_identifier":{"issn":["2663-337X"],"isbn":["978-3-99078-071-8"]},"doi_confirm":"1","corr_author":"1","OA_place":"publisher","author":[{"full_name":"Mondal, Soumyadip","last_name":"Mondal","first_name":"Soumyadip","id":"d25d21ef-dc8d-11ea-abe3-ec4576307f48"}],"publication_status":"published","das_tickbox":"1","year":"2025","date_updated":"2026-09-16T07:07:04Z","has_accepted_license":"1","publisher":"Institute of Science and Technology Austria","supervisor":[{"first_name":"Stefan Alexander","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","last_name":"Freunberger","full_name":"Freunberger, Stefan Alexander","orcid":"0000-0003-2902-5319"}],"file":[{"file_size":32589295,"creator":"smondal","file_id":"20644","date_updated":"2025-11-13T16:47:47Z","content_type":"application/vnd.openxmlformats-officedocument.wordprocessingml.document","file_name":"2025_Mondal_Soumyadip_Thesis.docx","date_created":"2025-11-13T16:47:47Z","checksum":"b5eed6a3dccb83cd2a8a22e11fd7d867","access_level":"closed","relation":"source_file"},{"file_id":"20645","date_updated":"2025-11-13T16:47:46Z","content_type":"application/pdf","embargo":"2026-11-13","file_name":"2025_Mondal_Soumyadip_Thesis.pdf","access_level":"closed","embargo_to":"open_access","checksum":"89b1529e0a7b524f46624d73ecadf8cb","date_created":"2025-11-13T16:47:46Z","relation":"main_file","file_size":5007370,"creator":"smondal"}],"tmp":{"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)","image":"/images/cc_by.png"},"degree_awarded":"PhD","department":[{"_id":"GradSch"},{"_id":"StFr"}],"date_published":"2025-09-19T00:00:00Z","acknowledgement":"I gratefully acknowledge the support of the ISTA Graduate School and the Scientific Service Units of\r\nISTA, whose resources made this work possible—especially the Imaging & Optics Facility, the Lab\r\nSupport Facility, and the Miba Machine Shop. I would like to thank two staff scientists in particular:\r\nRobert Hauschild (Imaging & Optics Facility) and Daniel Balazs (Lab Support Facility), for their\r\nassistance and advice. My PhD was partially funded by the Austrian Science Fund (FWF)\r\n(10.55776/P37169 and 10.55776/COE5).","language":[{"iso":"eng"}],"fulldoi":"https://doi.org/10.15479/AT-ISTA-20607","citation":{"ieee":"S. Mondal, “Oxygen and sulfur redox: Conversion kinetics and phase equilibria,” Institute of Science and Technology Austria, 2025.","mla":"Mondal, Soumyadip. <i>Oxygen and Sulfur Redox: Conversion Kinetics and Phase Equilibria</i>. Institute of Science and Technology Austria, 2025, doi:<a href=\"https://doi.org/10.15479/AT-ISTA-20607\">10.15479/AT-ISTA-20607</a>.","apa":"Mondal, S. (2025). <i>Oxygen and sulfur redox: Conversion kinetics and phase equilibria</i>. Institute of Science and Technology Austria. <a href=\"https://doi.org/10.15479/AT-ISTA-20607\">https://doi.org/10.15479/AT-ISTA-20607</a>","short":"S. Mondal, Oxygen and Sulfur Redox: Conversion Kinetics and Phase Equilibria, Institute of Science and Technology Austria, 2025.","chicago":"Mondal, Soumyadip. “Oxygen and Sulfur Redox: Conversion Kinetics and Phase Equilibria.” Institute of Science and Technology Austria, 2025. <a href=\"https://doi.org/10.15479/AT-ISTA-20607\">https://doi.org/10.15479/AT-ISTA-20607</a>.","ama":"Mondal S. Oxygen and sulfur redox: Conversion kinetics and phase equilibria. 2025. doi:<a href=\"https://doi.org/10.15479/AT-ISTA-20607\">10.15479/AT-ISTA-20607</a>","ista":"Mondal S. 2025. Oxygen and sulfur redox: Conversion kinetics and phase equilibria. Institute of Science and Technology Austria."},"month":"09","status":"public","type":"dissertation","alternative_title":["ISTA Thesis"],"page":"71","doi":"10.15479/AT-ISTA-20607","article_processing_charge":"No","ddc":["541","543","542"],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","title":"Oxygen and sulfur redox: Conversion kinetics and phase equilibria","file_date_updated":"2025-11-13T16:47:47Z","date_created":"2025-11-07T12:40:54Z","_id":"20607","related_material":{"record":[{"id":"12065","status":"public","relation":"part_of_dissertation"},{"relation":"part_of_dissertation","status":"public","id":"13044"},{"relation":"part_of_dissertation","status":"deleted","id":"20437"},{"status":"public","id":"14687","relation":"part_of_dissertation"}]},"day":"19","acknowledged_ssus":[{"_id":"Bio"},{"_id":"SSU"},{"_id":"LifeSc"},{"_id":"M-Shop"}],"project":[{"grant_number":"P37169","_id":"8df062be-16d5-11f0-9cad-f559b6612c7e","name":"Singlet oxygen in non-aqueous oxygen redox chemistry"},{"grant_number":"COE05","name":"Materials for Energy Conversion and Storage (Freunberger)","_id":"5eaf4378-b033-11f1-b276-f928018a46c1"}]},{"oa_version":"None","publication_identifier":{"eissn":["1364-5498"],"issn":["1359-6640"]},"publication_status":"published","scopus_import":"1","author":[{"last_name":"Archer","full_name":"Archer, Lynden A.","first_name":"Lynden A."},{"full_name":"Bruce, Peter G.","last_name":"Bruce","first_name":"Peter G."},{"first_name":"Ernesto J.","last_name":"Calvo","full_name":"Calvo, Ernesto J."},{"last_name":"Dewar","full_name":"Dewar, Daniel","first_name":"Daniel"},{"full_name":"Ellison, James H. J.","last_name":"Ellison","first_name":"James H. J."},{"full_name":"Freunberger, Stefan Alexander","last_name":"Freunberger","orcid":"0000-0003-2902-5319","first_name":"Stefan Alexander","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425"},{"first_name":"Xiangwen","last_name":"Gao","full_name":"Gao, Xiangwen"},{"full_name":"Hardwick, Laurence J.","last_name":"Hardwick","first_name":"Laurence J."},{"full_name":"Horwitz, Gabriela","last_name":"Horwitz","first_name":"Gabriela"},{"first_name":"Jürgen","full_name":"Janek, Jürgen","last_name":"Janek"},{"first_name":"Lee R.","full_name":"Johnson, Lee R.","last_name":"Johnson"},{"first_name":"Jack W.","full_name":"Jordan, Jack W.","last_name":"Jordan"},{"full_name":"Matsuda, Shoichi","last_name":"Matsuda","first_name":"Shoichi"},{"last_name":"Menkin","full_name":"Menkin, Svetlana","first_name":"Svetlana"},{"full_name":"Mondal, Soumyadip","last_name":"Mondal","first_name":"Soumyadip","id":"d25d21ef-dc8d-11ea-abe3-ec4576307f48"},{"full_name":"Qiu, Qianyuan","last_name":"Qiu","first_name":"Qianyuan"},{"full_name":"Samarakoon, Thukshan","last_name":"Samarakoon","first_name":"Thukshan"},{"last_name":"Temprano","full_name":"Temprano, Israel","first_name":"Israel"},{"first_name":"Kohei","last_name":"Uosaki","full_name":"Uosaki, Kohei"},{"full_name":"Vailaya, Ganesh","last_name":"Vailaya","first_name":"Ganesh"},{"first_name":"Eric D.","last_name":"Wachsman","full_name":"Wachsman, Eric D."},{"first_name":"Yiying","full_name":"Wu, Yiying","last_name":"Wu"},{"last_name":"Ye","full_name":"Ye, Shen","first_name":"Shen"}],"date_updated":"2025-09-04T11:34:30Z","publisher":"Royal Society of Chemistry","year":"2024","volume":248,"external_id":{"pmid":["38112202"],"isi":["001130090400001"]},"date_published":"2024-01-29T00:00:00Z","department":[{"_id":"StFr"}],"fulldoi":"https://doi.org/10.1039/d3fd90062b","language":[{"iso":"eng"}],"pmid":1,"citation":{"apa":"Archer, L. A., Bruce, P. G., Calvo, E. J., Dewar, D., Ellison, J. H. J., Freunberger, S. A., … Ye, S. (2024). Towards practical metal–oxygen batteries: General discussion. <i>Faraday Discussions</i>. Royal Society of Chemistry. <a href=\"https://doi.org/10.1039/d3fd90062b\">https://doi.org/10.1039/d3fd90062b</a>","ieee":"L. A. Archer <i>et al.</i>, “Towards practical metal–oxygen batteries: General discussion,” <i>Faraday Discussions</i>, vol. 248. Royal Society of Chemistry, pp. 392–411, 2024.","mla":"Archer, Lynden A., et al. “Towards Practical Metal–Oxygen Batteries: General Discussion.” <i>Faraday Discussions</i>, vol. 248, Royal Society of Chemistry, 2024, pp. 392–411, doi:<a href=\"https://doi.org/10.1039/d3fd90062b\">10.1039/d3fd90062b</a>.","ista":"Archer LA, Bruce PG, Calvo EJ, Dewar D, Ellison JHJ, Freunberger SA, Gao X, Hardwick LJ, Horwitz G, Janek J, Johnson LR, Jordan JW, Matsuda S, Menkin S, Mondal S, Qiu Q, Samarakoon T, Temprano I, Uosaki K, Vailaya G, Wachsman ED, Wu Y, Ye S. 2024. Towards practical metal–oxygen batteries: General discussion. Faraday Discussions. 248, 392–411.","ama":"Archer LA, Bruce PG, Calvo EJ, et al. Towards practical metal–oxygen batteries: General discussion. <i>Faraday Discussions</i>. 2024;248:392-411. doi:<a href=\"https://doi.org/10.1039/d3fd90062b\">10.1039/d3fd90062b</a>","short":"L.A. Archer, P.G. Bruce, E.J. Calvo, D. Dewar, J.H.J. Ellison, S.A. Freunberger, X. Gao, L.J. Hardwick, G. Horwitz, J. Janek, L.R. Johnson, J.W. Jordan, S. Matsuda, S. Menkin, S. Mondal, Q. Qiu, T. Samarakoon, I. Temprano, K. Uosaki, G. Vailaya, E.D. Wachsman, Y. Wu, S. Ye, Faraday Discussions 248 (2024) 392–411.","chicago":"Archer, Lynden A., Peter G. Bruce, Ernesto J. Calvo, Daniel Dewar, James H. J. Ellison, Stefan Alexander Freunberger, Xiangwen Gao, et al. “Towards Practical Metal–Oxygen Batteries: General Discussion.” <i>Faraday Discussions</i>. Royal Society of Chemistry, 2024. <a href=\"https://doi.org/10.1039/d3fd90062b\">https://doi.org/10.1039/d3fd90062b</a>."},"status":"public","month":"01","type":"journal_article","page":"392-411","doi":"10.1039/d3fd90062b","intvolume":"       248","isi":1,"article_processing_charge":"No","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","title":"Towards practical metal–oxygen batteries: General discussion","keyword":["Physical and Theoretical Chemistry"],"date_created":"2023-12-20T10:48:09Z","_id":"14701","publication":"Faraday Discussions","quality_controlled":"1","article_type":"letter_note","day":"29"},{"month":"01","status":"public","citation":{"chicago":"Attard, Gary A., Ernesto J. Calvo, Larry A. Curtiss, Daniel Dewar, James H. J. Ellison, Xiangwen Gao, Clare P. Grey, et al. “Materials for Stable Metal–Oxygen Battery Cathodes: General Discussion.” <i>Faraday Discussions</i>. Royal Society of Chemistry, 2024. <a href=\"https://doi.org/10.1039/d3fd90059b\">https://doi.org/10.1039/d3fd90059b</a>.","short":"G.A. Attard, E.J. Calvo, L.A. Curtiss, D. Dewar, J.H.J. Ellison, X. Gao, C.P. Grey, L.J. Hardwick, G. Horwitz, J. Janek, L.R. Johnson, J.W. Jordan, S. Matsuda, S. Mondal, A.R. Neale, N. Ortiz-Vitoriano, I. Temprano, G. Vailaya, E.D. Wachsman, H.-H. Wang, Y. Wu, S. Ye, Faraday Discussions 248 (2024) 75–88.","ama":"Attard GA, Calvo EJ, Curtiss LA, et al. Materials for stable metal–oxygen battery cathodes: general discussion. <i>Faraday Discussions</i>. 2024;248:75-88. doi:<a href=\"https://doi.org/10.1039/d3fd90059b\">10.1039/d3fd90059b</a>","ista":"Attard GA, Calvo EJ, Curtiss LA, Dewar D, Ellison JHJ, Gao X, Grey CP, Hardwick LJ, Horwitz G, Janek J, Johnson LR, Jordan JW, Matsuda S, Mondal S, Neale AR, Ortiz-Vitoriano N, Temprano I, Vailaya G, Wachsman ED, Wang H-H, Wu Y, Ye S. 2024. Materials for stable metal–oxygen battery cathodes: general discussion. Faraday Discussions. 248, 75–88.","ieee":"G. A. Attard <i>et al.</i>, “Materials for stable metal–oxygen battery cathodes: general discussion,” <i>Faraday Discussions</i>, vol. 248. Royal Society of Chemistry, pp. 75–88, 2024.","mla":"Attard, Gary A., et al. “Materials for Stable Metal–Oxygen Battery Cathodes: General Discussion.” <i>Faraday Discussions</i>, vol. 248, Royal Society of Chemistry, 2024, pp. 75–88, doi:<a href=\"https://doi.org/10.1039/d3fd90059b\">10.1039/d3fd90059b</a>.","apa":"Attard, G. A., Calvo, E. J., Curtiss, L. A., Dewar, D., Ellison, J. H. J., Gao, X., … Ye, S. (2024). Materials for stable metal–oxygen battery cathodes: general discussion. <i>Faraday Discussions</i>. Royal Society of Chemistry. <a href=\"https://doi.org/10.1039/d3fd90059b\">https://doi.org/10.1039/d3fd90059b</a>"},"type":"journal_article","doi":"10.1039/d3fd90059b","intvolume":"       248","page":"75-88","article_processing_charge":"No","isi":1,"title":"Materials for stable metal–oxygen battery cathodes: general discussion","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","keyword":["Physical and Theoretical Chemistry"],"_id":"14702","publication":"Faraday Discussions","date_created":"2023-12-20T10:49:43Z","article_type":"letter_note","day":"29","quality_controlled":"1","oa_version":"None","publication_identifier":{"eissn":["1364-5498"],"issn":["1359-6640"]},"author":[{"last_name":"Attard","full_name":"Attard, Gary A.","first_name":"Gary A."},{"first_name":"Ernesto J.","last_name":"Calvo","full_name":"Calvo, Ernesto J."},{"first_name":"Larry A.","full_name":"Curtiss, Larry A.","last_name":"Curtiss"},{"first_name":"Daniel","full_name":"Dewar, Daniel","last_name":"Dewar"},{"first_name":"James H. J.","full_name":"Ellison, James H. J.","last_name":"Ellison"},{"full_name":"Gao, Xiangwen","last_name":"Gao","first_name":"Xiangwen"},{"last_name":"Grey","full_name":"Grey, Clare P.","first_name":"Clare P."},{"last_name":"Hardwick","full_name":"Hardwick, Laurence J.","first_name":"Laurence J."},{"last_name":"Horwitz","full_name":"Horwitz, Gabriela","first_name":"Gabriela"},{"first_name":"Juergen","last_name":"Janek","full_name":"Janek, Juergen"},{"last_name":"Johnson","full_name":"Johnson, Lee R.","first_name":"Lee R."},{"full_name":"Jordan, Jack W.","last_name":"Jordan","first_name":"Jack W."},{"last_name":"Matsuda","full_name":"Matsuda, Shoichi","first_name":"Shoichi"},{"full_name":"Mondal, Soumyadip","last_name":"Mondal","first_name":"Soumyadip","id":"d25d21ef-dc8d-11ea-abe3-ec4576307f48"},{"full_name":"Neale, Alex R.","last_name":"Neale","first_name":"Alex R."},{"last_name":"Ortiz-Vitoriano","full_name":"Ortiz-Vitoriano, Nagore","first_name":"Nagore"},{"last_name":"Temprano","full_name":"Temprano, Israel","first_name":"Israel"},{"last_name":"Vailaya","full_name":"Vailaya, Ganesh","first_name":"Ganesh"},{"last_name":"Wachsman","full_name":"Wachsman, Eric D.","first_name":"Eric D."},{"first_name":"Hsien-Hau","last_name":"Wang","full_name":"Wang, Hsien-Hau"},{"full_name":"Wu, Yiying","last_name":"Wu","first_name":"Yiying"},{"first_name":"Shen","full_name":"Ye, Shen","last_name":"Ye"}],"scopus_import":"1","publication_status":"published","volume":248,"year":"2024","publisher":"Royal Society of Chemistry","date_updated":"2025-09-04T11:35:09Z","external_id":{"pmid":["38109098"],"isi":["001130029600001"]},"department":[{"_id":"StFr"}],"date_published":"2024-01-29T00:00:00Z","pmid":1,"language":[{"iso":"eng"}],"fulldoi":"https://doi.org/10.1039/d3fd90059b"},{"keyword":["Electrical and Electronic Engineering","Materials Chemistry","Electrochemistry","Energy Engineering and Power Technology","Chemical Engineering (miscellaneous)"],"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1021/acsaem.3c02223"}],"user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","title":"Exploring the landscape of heterocyclic quinones for redox flow batteries","oa":1,"day":"22","quality_controlled":"1","article_type":"original","project":[{"name":"IST-BRIDGE: International postdoctoral program","_id":"fc2ed2f7-9c52-11eb-aca3-c01059dda49c","grant_number":"101034413","call_identifier":"H2020"}],"publication":"ACS Applied Energy Materials","_id":"14733","file_date_updated":"2024-07-16T11:59:24Z","date_created":"2024-01-05T09:20:48Z","type":"journal_article","issue":"2","status":"public","citation":{"ama":"Jethwa RB, Hey D, Kerber RN, Bond AD, Wright DS, Grey CP. Exploring the landscape of heterocyclic quinones for redox flow batteries. <i>ACS Applied Energy Materials</i>. 2024;7(2):414-426. doi:<a href=\"https://doi.org/10.1021/acsaem.3c02223\">10.1021/acsaem.3c02223</a>","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.","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.","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.” <i>ACS Applied Energy Materials</i>. American Chemical Society, 2024. <a href=\"https://doi.org/10.1021/acsaem.3c02223\">https://doi.org/10.1021/acsaem.3c02223</a>.","apa":"Jethwa, R. B., Hey, D., Kerber, R. N., Bond, A. D., Wright, D. S., &#38; Grey, C. P. (2024). Exploring the landscape of heterocyclic quinones for redox flow batteries. <i>ACS Applied Energy Materials</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsaem.3c02223\">https://doi.org/10.1021/acsaem.3c02223</a>","mla":"Jethwa, Rajesh B., et al. “Exploring the Landscape of Heterocyclic Quinones for Redox Flow Batteries.” <i>ACS Applied Energy Materials</i>, vol. 7, no. 2, American Chemical Society, 2024, pp. 414–26, doi:<a href=\"https://doi.org/10.1021/acsaem.3c02223\">10.1021/acsaem.3c02223</a>.","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,” <i>ACS Applied Energy Materials</i>, vol. 7, no. 2. American Chemical Society, pp. 414–426, 2024."},"month":"01","article_processing_charge":"Yes (in subscription journal)","isi":1,"ddc":["540"],"doi":"10.1021/acsaem.3c02223","ec_funded":1,"intvolume":"         7","page":"414-426","tmp":{"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)","image":"/images/cc_by.png"},"external_id":{"pmid":["38273966"],"isi":["001146733200001"]},"file":[{"success":1,"file_id":"17262","date_updated":"2024-07-16T11:59:24Z","content_type":"application/pdf","file_name":"2024_ACSAppElecMaterials_Jethwa.pdf","relation":"main_file","checksum":"2841e86a041d249ac0df2531b7f9aec1","date_created":"2024-07-16T11:59:24Z","access_level":"open_access","file_size":5607177,"creator":"dernst"}],"pmid":1,"language":[{"iso":"eng"}],"fulldoi":"https://doi.org/10.1021/acsaem.3c02223","abstract":[{"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.","lang":"eng"}],"department":[{"_id":"StFr"}],"date_published":"2024-01-22T00:00:00Z","publication_identifier":{"eissn":["2574-0962"]},"oa_version":"Published Version","volume":7,"year":"2024","publisher":"American Chemical Society","has_accepted_license":"1","date_updated":"2025-09-04T11:36:32Z","author":[{"id":"4cc538d5-803f-11ed-ab7e-8139573aad8f","first_name":"Rajesh B","orcid":"0000-0002-0404-4356","full_name":"Jethwa, Rajesh B","last_name":"Jethwa"},{"full_name":"Hey, Dominic","last_name":"Hey","first_name":"Dominic"},{"last_name":"Kerber","full_name":"Kerber, Rachel N.","first_name":"Rachel N."},{"full_name":"Bond, Andrew D.","last_name":"Bond","first_name":"Andrew D."},{"last_name":"Wright","full_name":"Wright, Dominic S.","first_name":"Dominic S."},{"first_name":"Clare P.","last_name":"Grey","full_name":"Grey, Clare P."}],"scopus_import":"1","publication_status":"published"},{"title":"Catalysing rate and capacity","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","article_type":"letter_note","day":"26","quality_controlled":"1","date_created":"2024-07-29T07:05:33Z","_id":"17333","publication":"Nature Catalysis","issue":"7","type":"journal_article","status":"public","citation":{"apa":"Mondal, S., &#38; Freunberger, S. A. (2024). Catalysing rate and capacity. <i>Nature Catalysis</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s41929-024-01184-7\">https://doi.org/10.1038/s41929-024-01184-7</a>","ieee":"S. Mondal and S. A. Freunberger, “Catalysing rate and capacity,” <i>Nature Catalysis</i>, vol. 7, no. 7. Springer Nature, pp. 759–760, 2024.","mla":"Mondal, Soumyadip, and Stefan Alexander Freunberger. “Catalysing Rate and Capacity.” <i>Nature Catalysis</i>, vol. 7, no. 7, Springer Nature, 2024, pp. 759–60, doi:<a href=\"https://doi.org/10.1038/s41929-024-01184-7\">10.1038/s41929-024-01184-7</a>.","ama":"Mondal S, Freunberger SA. Catalysing rate and capacity. <i>Nature Catalysis</i>. 2024;7(7):759-760. doi:<a href=\"https://doi.org/10.1038/s41929-024-01184-7\">10.1038/s41929-024-01184-7</a>","ista":"Mondal S, Freunberger SA. 2024. Catalysing rate and capacity. Nature Catalysis. 7(7), 759–760.","short":"S. Mondal, S.A. Freunberger, Nature Catalysis 7 (2024) 759–760.","chicago":"Mondal, Soumyadip, and Stefan Alexander Freunberger. “Catalysing Rate and Capacity.” <i>Nature Catalysis</i>. Springer Nature, 2024. <a href=\"https://doi.org/10.1038/s41929-024-01184-7\">https://doi.org/10.1038/s41929-024-01184-7</a>."},"month":"07","isi":1,"article_processing_charge":"No","page":"759-760","doi":"10.1038/s41929-024-01184-7","intvolume":"         7","external_id":{"isi":["001278986700012"]},"language":[{"iso":"eng"}],"fulldoi":"https://doi.org/10.1038/s41929-024-01184-7","department":[{"_id":"StFr"}],"abstract":[{"lang":"eng","text":"Aqueous zinc-ion batteries are attractive due to their low cost, environmental friendliness, and exceptional performance, but the latter remains poorly understood. Now, a fast catalytic step involved in oxygen redox catalysis is shown to contribute to capacity at a high rate."}],"date_published":"2024-07-26T00:00:00Z","publication_identifier":{"issn":["2520-1158"]},"corr_author":"1","oa_version":"None","year":"2024","volume":7,"date_updated":"2025-09-08T08:30:59Z","publisher":"Springer Nature","scopus_import":"1","author":[{"last_name":"Mondal","full_name":"Mondal, Soumyadip","first_name":"Soumyadip","id":"d25d21ef-dc8d-11ea-abe3-ec4576307f48"},{"orcid":"0000-0003-2902-5319","full_name":"Freunberger, Stefan Alexander","last_name":"Freunberger","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","first_name":"Stefan Alexander"}],"publication_status":"published"},{"_id":"14687","publication":"Angewandte Chemie International Edition","file_date_updated":"2024-07-16T11:54:46Z","date_created":"2023-12-15T16:10:13Z","project":[{"grant_number":"101034413","call_identifier":"H2020","name":"IST-BRIDGE: International postdoctoral program","_id":"fc2ed2f7-9c52-11eb-aca3-c01059dda49c"}],"oa":1,"article_type":"review","day":"08","related_material":{"record":[{"status":"public","id":"20607","relation":"dissertation_contains"}]},"quality_controlled":"1","title":"To DISP or not? The far‐reaching reaction mechanisms underpinning Lithium‐air batteries","user_id":"317138e5-6ab7-11ef-aa6d-ffef3953e345","keyword":["General Chemistry","Catalysis"],"doi":"10.1002/anie.202316476","article_number":"e202316476","ec_funded":1,"intvolume":"        63","ddc":["540"],"article_processing_charge":"Yes (via OA deal)","isi":1,"citation":{"apa":"Jethwa, R. B., Mondal, S., Pant, B., &#38; Freunberger, S. A. (2024). To DISP or not? The far‐reaching reaction mechanisms underpinning Lithium‐air batteries. <i>Angewandte Chemie International Edition</i>. Wiley. <a href=\"https://doi.org/10.1002/anie.202316476\">https://doi.org/10.1002/anie.202316476</a>","ieee":"R. B. Jethwa, S. Mondal, B. Pant, and S. A. Freunberger, “To DISP or not? The far‐reaching reaction mechanisms underpinning Lithium‐air batteries,” <i>Angewandte Chemie International Edition</i>, vol. 63, no. 28. Wiley, 2024.","mla":"Jethwa, Rajesh B., et al. “To DISP or Not? The Far‐reaching Reaction Mechanisms Underpinning Lithium‐air Batteries.” <i>Angewandte Chemie International Edition</i>, vol. 63, no. 28, e202316476, Wiley, 2024, doi:<a href=\"https://doi.org/10.1002/anie.202316476\">10.1002/anie.202316476</a>.","ista":"Jethwa RB, Mondal S, Pant B, Freunberger SA. 2024. To DISP or not? The far‐reaching reaction mechanisms underpinning Lithium‐air batteries. Angewandte Chemie International Edition. 63(28), e202316476.","ama":"Jethwa RB, Mondal S, Pant B, Freunberger SA. To DISP or not? The far‐reaching reaction mechanisms underpinning Lithium‐air batteries. <i>Angewandte Chemie International Edition</i>. 2024;63(28). doi:<a href=\"https://doi.org/10.1002/anie.202316476\">10.1002/anie.202316476</a>","short":"R.B. Jethwa, S. Mondal, B. Pant, S.A. Freunberger, Angewandte Chemie International Edition 63 (2024).","chicago":"Jethwa, Rajesh B, Soumyadip Mondal, Bhargavi Pant, and Stefan Alexander Freunberger. “To DISP or Not? The Far‐reaching Reaction Mechanisms Underpinning Lithium‐air Batteries.” <i>Angewandte Chemie International Edition</i>. Wiley, 2024. <a href=\"https://doi.org/10.1002/anie.202316476\">https://doi.org/10.1002/anie.202316476</a>."},"status":"public","month":"07","issue":"28","type":"journal_article","date_published":"2024-07-08T00:00:00Z","abstract":[{"lang":"eng","text":"The short history of research on Li-O2 batteries has seen a remarkable number of mechanistic U-turns over the years. From the initial use of carbonate electrolytes, that were then found to be entirely unsuitable, to the belief that (su)peroxide was solely responsible for degradation, before the more reactive singlet oxygen was found to form, to the hypothesis that capacity depends on a competing surface/solution mechanism before a practically exclusive solution mechanism was identified. Herein, we argue for an ever-fresh look at the reported data without bias towards supposedly established explanations. We explain how the latest findings on rate and capacity limits, as well as the origin of side reactions, are connected via the disproportionation (DISP) step in the (dis)charge mechanism. Therefrom, directions emerge for the design of electrolytes and mediators on how to suppress side reactions and to enable high rate and high reversible capacity."}],"department":[{"_id":"StFr"},{"_id":"GradSch"}],"license":"https://creativecommons.org/licenses/by-nc-nd/4.0/","fulldoi":"https://doi.org/10.1002/anie.202316476","pmid":1,"acknowledgement":"S.A.F. is indebted to ISTA for support. R.B.J. thanks the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 101034413 for funding. B.P. thanks Alistore ERI for providing a PhD scholarship.","language":[{"iso":"eng"}],"file":[{"date_updated":"2024-07-16T11:54:46Z","file_id":"17261","success":1,"content_type":"application/pdf","file_name":"2024_AngChemieInt_Jethwa.pdf","relation":"main_file","checksum":"fe2c23454279eb9d76ed6ca9970c21c7","access_level":"open_access","date_created":"2024-07-16T11:54:46Z","file_size":4766445,"creator":"dernst"}],"external_id":{"isi":["001241932700001"],"pmid":["38095355"]},"tmp":{"image":"/images/cc_by_nc_nd.png","short":"CC BY-NC-ND (4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode","name":"Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)"},"publication_status":"published","author":[{"first_name":"Rajesh B","id":"4cc538d5-803f-11ed-ab7e-8139573aad8f","full_name":"Jethwa, Rajesh B","last_name":"Jethwa","orcid":"0000-0002-0404-4356"},{"last_name":"Mondal","full_name":"Mondal, Soumyadip","id":"d25d21ef-dc8d-11ea-abe3-ec4576307f48","first_name":"Soumyadip"},{"full_name":"Pant, Bhargavi","last_name":"Pant","first_name":"Bhargavi","id":"50c64d4d-eb97-11eb-a6c2-d33e5e14f112"},{"full_name":"Freunberger, Stefan Alexander","last_name":"Freunberger","orcid":"0000-0003-2902-5319","first_name":"Stefan Alexander","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425"}],"scopus_import":"1","publisher":"Wiley","has_accepted_license":"1","date_updated":"2026-09-16T07:07:04Z","volume":63,"year":"2024","oa_version":"Published Version","corr_author":"1","publication_identifier":{"issn":["1433-7851"],"eissn":["1521-3773"]}},{"date_published":"2024-01-01T00:00:00Z","license":"https://creativecommons.org/licenses/by-nc/3.0/","department":[{"_id":"StFr"},{"_id":"Bio"}],"abstract":[{"text":"Singlet oxygen (1O2) formation is now recognised as a key aspect of non-aqueous oxygen redox chemistry. For identifying 1O2, chemical trapping via 9,10-dimethylanthracene (DMA) to form the endoperoxide (DMA-O2) has become the mainstay method due to its sensitivity, selectivity, and ease of use. While DMA has been shown to be selective for 1O2, rather than forming DMA-O2 with a wide variety of potentially reactive O-containing species, false positives might hypothetically be obtained in the presence of previously overlooked species. Here, we first give unequivocal direct spectroscopic proof by the 1O2-specific near infrared (NIR) emission at 1270 nm for the previously proposed 1O2 formation pathways, which centre around superoxide disproportionation. We then show that peroxocarbonates, common intermediates in metal-O2 and metal carbonate electrochemistry, do not produce false-positive DMA-O2. Moreover, we identify a previously unreported 1O2-forming pathway through the reaction of CO2 with superoxide. Overall, we give unequivocal proof for 1O2 formation in non-aqueous oxygen redox and show that chemical trapping with DMA is a reliable method to assess 1O2 formation.","lang":"eng"}],"fulldoi":"https://doi.org/10.1039/d3fd00088e","language":[{"iso":"eng"}],"pmid":1,"file":[{"access_level":"open_access","date_created":"2024-07-16T07:46:39Z","checksum":"6515a227ed3e8942496fe6a1feeffd18","relation":"main_file","file_name":"2024_FaradayDiscussions_Mondal.pdf","content_type":"application/pdf","file_id":"17249","success":1,"date_updated":"2024-07-16T07:46:39Z","creator":"dernst","file_size":1303733}],"external_id":{"pmid":["37750344"],"isi":["001070423500001"]},"tmp":{"short":"CC BY-NC (3.0)","image":"/images/cc_by_nc.png","legal_code_url":"https://creativecommons.org/licenses/by-nc/3.0/legalcode","name":"Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)"},"publication_status":"published","scopus_import":"1","author":[{"last_name":"Mondal","full_name":"Mondal, Soumyadip","first_name":"Soumyadip","id":"d25d21ef-dc8d-11ea-abe3-ec4576307f48"},{"id":"4cc538d5-803f-11ed-ab7e-8139573aad8f","first_name":"Rajesh B","orcid":"0000-0002-0404-4356","last_name":"Jethwa","full_name":"Jethwa, Rajesh B"},{"full_name":"Pant, Bhargavi","last_name":"Pant","first_name":"Bhargavi","id":"50c64d4d-eb97-11eb-a6c2-d33e5e14f112"},{"orcid":"0000-0001-9843-3522","last_name":"Hauschild","full_name":"Hauschild, Robert","id":"4E01D6B4-F248-11E8-B48F-1D18A9856A87","first_name":"Robert"},{"first_name":"Stefan Alexander","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","full_name":"Freunberger, Stefan Alexander","last_name":"Freunberger","orcid":"0000-0003-2902-5319"}],"has_accepted_license":"1","date_updated":"2026-09-16T07:07:04Z","publisher":"Royal Society of Chemistry","year":"2024","volume":248,"oa_version":"Published Version","corr_author":"1","publication_identifier":{"eissn":["1364-5498"],"issn":["1359-6640"]},"date_created":"2023-05-22T06:53:34Z","file_date_updated":"2024-07-16T07:46:39Z","publication":"Faraday Discussions","_id":"13044","day":"01","related_material":{"record":[{"id":"20607","status":"public","relation":"dissertation_contains"}]},"article_type":"original","quality_controlled":"1","oa":1,"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","title":"Singlet oxygen in non-aqueous oxygen redox: Direct spectroscopic evidence for formation pathways and reliability of chemical probes","keyword":["Physical and Theoretical Chemistry"],"page":"175-189","doi":"10.1039/d3fd00088e","intvolume":"       248","ddc":["540"],"isi":1,"article_processing_charge":"Yes (via OA deal)","status":"public","month":"01","citation":{"ama":"Mondal S, Jethwa RB, Pant B, Hauschild R, Freunberger SA. Singlet oxygen in non-aqueous oxygen redox: Direct spectroscopic evidence for formation pathways and reliability of chemical probes. <i>Faraday Discussions</i>. 2024;248:175-189. doi:<a href=\"https://doi.org/10.1039/d3fd00088e\">10.1039/d3fd00088e</a>","ista":"Mondal S, Jethwa RB, Pant B, Hauschild R, Freunberger SA. 2024. Singlet oxygen in non-aqueous oxygen redox: Direct spectroscopic evidence for formation pathways and reliability of chemical probes. Faraday Discussions. 248, 175–189.","short":"S. Mondal, R.B. Jethwa, B. Pant, R. Hauschild, S.A. Freunberger, Faraday Discussions 248 (2024) 175–189.","chicago":"Mondal, Soumyadip, Rajesh B Jethwa, Bhargavi Pant, Robert Hauschild, and Stefan Alexander Freunberger. “Singlet Oxygen in Non-Aqueous Oxygen Redox: Direct Spectroscopic Evidence for Formation Pathways and Reliability of Chemical Probes.” <i>Faraday Discussions</i>. Royal Society of Chemistry, 2024. <a href=\"https://doi.org/10.1039/d3fd00088e\">https://doi.org/10.1039/d3fd00088e</a>.","apa":"Mondal, S., Jethwa, R. B., Pant, B., Hauschild, R., &#38; Freunberger, S. A. (2024). Singlet oxygen in non-aqueous oxygen redox: Direct spectroscopic evidence for formation pathways and reliability of chemical probes. <i>Faraday Discussions</i>. Royal Society of Chemistry. <a href=\"https://doi.org/10.1039/d3fd00088e\">https://doi.org/10.1039/d3fd00088e</a>","ieee":"S. Mondal, R. B. Jethwa, B. Pant, R. Hauschild, and S. A. Freunberger, “Singlet oxygen in non-aqueous oxygen redox: Direct spectroscopic evidence for formation pathways and reliability of chemical probes,” <i>Faraday Discussions</i>, vol. 248. Royal Society of Chemistry, pp. 175–189, 2024.","mla":"Mondal, Soumyadip, et al. “Singlet Oxygen in Non-Aqueous Oxygen Redox: Direct Spectroscopic Evidence for Formation Pathways and Reliability of Chemical Probes.” <i>Faraday Discussions</i>, vol. 248, Royal Society of Chemistry, 2024, pp. 175–89, doi:<a href=\"https://doi.org/10.1039/d3fd00088e\">10.1039/d3fd00088e</a>."},"type":"journal_article"},{"external_id":{"pmid":["36883367"],"isi":["000956110300001"]},"fulldoi":"https://doi.org/10.1021/acs.inorgchem.3c00057","acknowledgement":"The authors thank the Walters-Kundert Studentship of Selwyn College (scholarship for J.E.W.), the Leverhulme Trust (R.G.-R. and D.S.W., grant RPG-2017-146), the Australian Research Council (A.L.C., DE200100450), the Spanish Ministry of Science and Innovation (MCI) and the Spanish Ministry of Science, Innovation and Universities (MCIU) (R.G.-R., PID2021-124691NB-I00, funded by MCIN/AEI/10.13039/501100011033/FEDER, UE and PGC2018-096880-A-I00, MCIU/AEI/FEDER), The University of Valladolid and Santander Bank (Fellowship for A.G.-R.), and the U.K. EPSRC and The Royal Dutch Shell plc. (I-Case award for R.B.J., EP/R511870/1) for financial support. Calculations were carried out on an in-house Odyssey HPC cluster (Cambridge), and the authors are grateful for the calculation time used.","language":[{"iso":"eng"}],"pmid":1,"date_published":"2023-03-08T00:00:00Z","department":[{"_id":"StFr"}],"abstract":[{"lang":"eng","text":"The substitution of heavier, more metallic atoms into classical organic ligand frameworks provides an important strategy for tuning ligand properties, such as ligand bite and donor character, and is the basis for the emerging area of main-group supramolecular chemistry. In this paper, we explore two new ligands [E(2-Me-8-qy)3] [E = Sb (1), Bi (2); qy = quinolyl], allowing a fundamental comparison of their coordination behavior with classical tris(2-pyridyl) ligands of the type [E′(2-py)3] (E = a range of bridgehead atoms and groups, py = pyridyl). A range of new coordination modes to Cu+, Ag+, and Au+ is seen for 1 and 2, in the absence of steric constraints at the bridgehead and with their more remote N-donor atoms. A particular feature is the adaptive nature of these new ligands, with the ability to adjust coordination mode in response to the hard–soft character of coordinated metal ions, influenced also by the character of the bridgehead atom (Sb or Bi). These features can be seen in a comparison between [Cu2{Sb(2-Me-8-qy)3}2](PF6)2 (1·CuPF6) and [Cu{Bi(2-Me-8-qy)3}](PF6) (2·CuPF6), the first containing a dimeric cation in which 1 adopts an unprecedented intramolecular N,N,Sb-coordination mode while in the second, 2 adopts an unusual N,N,(π-)C coordination mode. In contrast, the previously reported analogous ligands [E(6-Me-2-py)3] (E = Sb, Bi; 2-py = 2-pyridyl) show a tris-chelating mode in their complexes with CuPF6, which is typical for the extensive tris(2-pyridyl) family with a range of metals. The greater polarity of the Bi–C bond in 2 results in ligand transfer reactions with Au(I). Although this reactivity is not in itself unusual, the characterization of several products by single-crystal X-ray diffraction provides snapshots of the ligand transfer reaction involved, with one of the products (the bimetallic complex [(BiCl){ClAu2(2-Me-8-qy)3}] (8)) containing a Au2Bi core in which the shortest Au → Bi donor–acceptor bond to date is observed."}],"publication_identifier":{"eissn":["1520-510X"],"issn":["0020-1669"]},"oa_version":"Submitted Version","date_updated":"2025-04-24T11:32:09Z","publisher":"American Chemical Society","year":"2023","volume":62,"publication_status":"published","OA_place":"repository","scopus_import":"1","author":[{"full_name":"García-Romero, Álvaro","last_name":"García-Romero","first_name":"Álvaro"},{"full_name":"Waters, Jessica E.","last_name":"Waters","first_name":"Jessica E."},{"orcid":"0000-0002-0404-4356","last_name":"Jethwa","full_name":"Jethwa, Rajesh B","id":"4cc538d5-803f-11ed-ab7e-8139573aad8f","first_name":"Rajesh B"},{"full_name":"Bond, Andrew D.","last_name":"Bond","first_name":"Andrew D."},{"first_name":"Annie L.","full_name":"Colebatch, Annie L.","last_name":"Colebatch"},{"full_name":"García-Rodríguez, Raúl","last_name":"García-Rodríguez","first_name":"Raúl"},{"full_name":"Wright, Dominic S.","last_name":"Wright","first_name":"Dominic S."}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","main_file_link":[{"url":"https://uvadoc.uva.es/handle/10324/59798","open_access":"1"}],"title":"Highly adaptive nature of group 15 tris(quinolyl) ligands─studies with coinage metals","article_type":"original","day":"08","quality_controlled":"1","oa":1,"date_created":"2023-03-19T23:00:59Z","publication":"Inorganic Chemistry","_id":"12737","issue":"11","type":"journal_article","month":"03","citation":{"ieee":"Á. García-Romero <i>et al.</i>, “Highly adaptive nature of group 15 tris(quinolyl) ligands─studies with coinage metals,” <i>Inorganic Chemistry</i>, vol. 62, no. 11. American Chemical Society, pp. 4625–4636, 2023.","mla":"García-Romero, Álvaro, et al. “Highly Adaptive Nature of Group 15 Tris(Quinolyl) Ligands─studies with Coinage Metals.” <i>Inorganic Chemistry</i>, vol. 62, no. 11, American Chemical Society, 2023, pp. 4625–36, doi:<a href=\"https://doi.org/10.1021/acs.inorgchem.3c00057\">10.1021/acs.inorgchem.3c00057</a>.","apa":"García-Romero, Á., Waters, J. E., Jethwa, R. B., Bond, A. D., Colebatch, A. L., García-Rodríguez, R., &#38; Wright, D. S. (2023). Highly adaptive nature of group 15 tris(quinolyl) ligands─studies with coinage metals. <i>Inorganic Chemistry</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acs.inorgchem.3c00057\">https://doi.org/10.1021/acs.inorgchem.3c00057</a>","chicago":"García-Romero, Álvaro, Jessica E. Waters, Rajesh B Jethwa, Andrew D. Bond, Annie L. Colebatch, Raúl García-Rodríguez, and Dominic S. Wright. “Highly Adaptive Nature of Group 15 Tris(Quinolyl) Ligands─studies with Coinage Metals.” <i>Inorganic Chemistry</i>. American Chemical Society, 2023. <a href=\"https://doi.org/10.1021/acs.inorgchem.3c00057\">https://doi.org/10.1021/acs.inorgchem.3c00057</a>.","short":"Á. García-Romero, J.E. Waters, R.B. Jethwa, A.D. Bond, A.L. Colebatch, R. García-Rodríguez, D.S. Wright, Inorganic Chemistry 62 (2023) 4625–4636.","ista":"García-Romero Á, Waters JE, Jethwa RB, Bond AD, Colebatch AL, García-Rodríguez R, Wright DS. 2023. Highly adaptive nature of group 15 tris(quinolyl) ligands─studies with coinage metals. Inorganic Chemistry. 62(11), 4625–4636.","ama":"García-Romero Á, Waters JE, Jethwa RB, et al. Highly adaptive nature of group 15 tris(quinolyl) ligands─studies with coinage metals. <i>Inorganic Chemistry</i>. 2023;62(11):4625-4636. doi:<a href=\"https://doi.org/10.1021/acs.inorgchem.3c00057\">10.1021/acs.inorgchem.3c00057</a>"},"OA_type":"green","status":"public","isi":1,"article_processing_charge":"No","page":"4625-4636","intvolume":"        62","doi":"10.1021/acs.inorgchem.3c00057"},{"type":"journal_article","issue":"13","citation":{"apa":"Farag, N. L., Jethwa, R. B., Beardmore, A. E., Insinna, T., O’Keefe, C. A., Klusener, P. A. A., … Wright, D. S. (2023). Triarylamines as catholytes in aqueous organic redox flow batteries. <i>ChemSusChem</i>. Wiley. <a href=\"https://doi.org/10.1002/cssc.202300128\">https://doi.org/10.1002/cssc.202300128</a>","mla":"Farag, Nadia L., et al. “Triarylamines as Catholytes in Aqueous Organic Redox Flow Batteries.” <i>ChemSusChem</i>, vol. 16, no. 13, e202300128, Wiley, 2023, doi:<a href=\"https://doi.org/10.1002/cssc.202300128\">10.1002/cssc.202300128</a>.","ieee":"N. L. Farag <i>et al.</i>, “Triarylamines as catholytes in aqueous organic redox flow batteries,” <i>ChemSusChem</i>, vol. 16, no. 13. Wiley, 2023.","ama":"Farag NL, Jethwa RB, Beardmore AE, et al. Triarylamines as catholytes in aqueous organic redox flow batteries. <i>ChemSusChem</i>. 2023;16(13). doi:<a href=\"https://doi.org/10.1002/cssc.202300128\">10.1002/cssc.202300128</a>","ista":"Farag NL, Jethwa RB, Beardmore AE, Insinna T, O’Keefe CA, Klusener PAA, Grey CP, Wright DS. 2023. Triarylamines as catholytes in aqueous organic redox flow batteries. ChemSusChem. 16(13), e202300128.","chicago":"Farag, Nadia L., Rajesh B Jethwa, Alice E. Beardmore, Teresa Insinna, Christopher A. O’Keefe, Peter A.A. Klusener, Clare P. Grey, and Dominic S. Wright. “Triarylamines as Catholytes in Aqueous Organic Redox Flow Batteries.” <i>ChemSusChem</i>. Wiley, 2023. <a href=\"https://doi.org/10.1002/cssc.202300128\">https://doi.org/10.1002/cssc.202300128</a>.","short":"N.L. Farag, R.B. Jethwa, A.E. Beardmore, T. Insinna, C.A. O’Keefe, P.A.A. Klusener, C.P. Grey, D.S. Wright, ChemSusChem 16 (2023)."},"month":"07","status":"public","ddc":["540"],"article_processing_charge":"Yes (in subscription journal)","isi":1,"intvolume":"        16","doi":"10.1002/cssc.202300128","article_number":"e202300128","title":"Triarylamines as catholytes in aqueous organic redox flow batteries","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa":1,"day":"06","article_type":"original","quality_controlled":"1","_id":"13041","publication":"ChemSusChem","file_date_updated":"2023-11-14T11:27:16Z","date_created":"2023-05-21T22:01:05Z","publication_identifier":{"eissn":["1864-564X"],"issn":["1864-5631"]},"oa_version":"Published Version","publisher":"Wiley","date_updated":"2023-11-14T11:28:23Z","has_accepted_license":"1","volume":16,"year":"2023","publication_status":"published","author":[{"full_name":"Farag, Nadia L.","last_name":"Farag","first_name":"Nadia L."},{"first_name":"Rajesh B","id":"4cc538d5-803f-11ed-ab7e-8139573aad8f","last_name":"Jethwa","full_name":"Jethwa, Rajesh B","orcid":"0000-0002-0404-4356"},{"first_name":"Alice E.","full_name":"Beardmore, Alice E.","last_name":"Beardmore"},{"first_name":"Teresa","last_name":"Insinna","full_name":"Insinna, Teresa"},{"first_name":"Christopher A.","full_name":"O'Keefe, Christopher A.","last_name":"O'Keefe"},{"last_name":"Klusener","full_name":"Klusener, Peter A.A.","first_name":"Peter A.A."},{"first_name":"Clare P.","full_name":"Grey, Clare P.","last_name":"Grey"},{"first_name":"Dominic S.","full_name":"Wright, Dominic S.","last_name":"Wright"}],"scopus_import":"1","external_id":{"pmid":["36970847"],"isi":["000985051300001"]},"tmp":{"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)","image":"/images/cc_by.png"},"file":[{"file_size":1168683,"creator":"dernst","file_id":"14532","success":1,"date_updated":"2023-11-14T11:27:16Z","content_type":"application/pdf","file_name":"2023_ChemSusChem_Farag.pdf","relation":"main_file","access_level":"open_access","date_created":"2023-11-14T11:27:16Z","checksum":"efa0713289995af83a2147b3e8e1d6a6"}],"fulldoi":"https://doi.org/10.1002/cssc.202300128","pmid":1,"acknowledgement":"The authors (N.L.F and R.B.J) would like to acknowledge the funding contributions of Shell and the EPRSC via I–Case studentships (grants no. EP/V519662/1 and EP/R511870/1 respectively). T.I would like to thank the ERC advanced Investigator Grant for CPG (EC H2020 835073). Thank you to Zhen Wang from the University of Cambridge for measuring GPC, the Yusuf Hamied Department of Chemistry's mass spectrometry service for MS measurements and analysis and Dr Andrew Bond from the University of Cambridge for XRD measurement and analysis.","language":[{"iso":"eng"}],"date_published":"2023-07-06T00:00:00Z","abstract":[{"lang":"eng","text":"A series of triarylamines was synthesised and screened for their suitability as catholytes in redox flow batteries using cyclic voltammetry (CV). Tris(4-aminophenyl)amine was found to be the strongest candidate. Solubility and initial electrochemical performance were promising; however, polymerisation was observed during electrochemical cycling leading to rapid capacity fade prescribed to a loss of accessible active material and the limitation of ion transport processes within the cell. A mixed electrolyte system of H3PO4 and HCl was found to inhibit polymerisation producing oligomers that consumed less active material reducing rates of degradation in the redox flow battery. Under these conditions Coulombic efficiency improved by over 4 %, the maximum number of cycles more than quadrupled and an additional theoretical capacity of 20 % was accessed. This paper is, to our knowledge, the first example of triarylamines as catholytes in all-aqueous redox flow batteries and emphasises the impact supporting electrolytes can have on electrochemical performance."}],"department":[{"_id":"StFr"}]},{"scopus_import":"1","author":[{"first_name":"Christian","last_name":"Prehal","full_name":"Prehal, Christian"},{"full_name":"von Mentlen, Jean-Marc","last_name":"von Mentlen","first_name":"Jean-Marc"},{"full_name":"Drvarič Talian, Sara","last_name":"Drvarič Talian","first_name":"Sara"},{"first_name":"Alen","last_name":"Vizintin","full_name":"Vizintin, Alen"},{"full_name":"Dominko, Robert","last_name":"Dominko","first_name":"Robert"},{"last_name":"Amenitsch","full_name":"Amenitsch, Heinz","first_name":"Heinz"},{"first_name":"Lionel","full_name":"Porcar, Lionel","last_name":"Porcar"},{"orcid":"0000-0003-2902-5319","full_name":"Freunberger, Stefan Alexander","last_name":"Freunberger","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","first_name":"Stefan Alexander"},{"last_name":"Wood","full_name":"Wood, Vanessa","first_name":"Vanessa"}],"publication_status":"published","year":"2022","volume":13,"date_updated":"2024-10-09T21:03:47Z","has_accepted_license":"1","publisher":"Springer Nature","oa_version":"Published Version","publication_identifier":{"issn":["2041-1723"]},"corr_author":"1","department":[{"_id":"StFr"}],"abstract":[{"lang":"eng","text":"The inadequate understanding of the mechanisms that reversibly convert molecular sulfur (S) into lithium sulfide (Li<jats:sub>2</jats:sub>S) via soluble polysulfides (PSs) formation impedes the development of high-performance lithium-sulfur (Li-S) batteries with non-aqueous electrolyte solutions. Here, we use operando small and wide angle X-ray scattering and operando small angle neutron scattering (SANS) measurements to track the nucleation, growth and dissolution of solid deposits from atomic to sub-micron scales during real-time Li-S cell operation. In particular, stochastic modelling based on the SANS data allows quantifying the nanoscale phase evolution during battery cycling. We show that next to nano-crystalline Li<jats:sub>2</jats:sub>S the deposit comprises solid short-chain PSs particles. The analysis of the experimental data suggests that initially, Li<jats:sub>2</jats:sub>S<jats:sub>2</jats:sub> precipitates from the solution and then is partially converted via solid-state electroreduction to Li<jats:sub>2</jats:sub>S. We further demonstrate that mass transport, rather than electron transport through a thin passivating film, limits the discharge capacity and rate performance in Li-S cells."}],"date_published":"2022-10-24T00:00:00Z","acknowledgement":"This project has received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie grant NanoEvolution, grant agreement No 894042. The authors acknowledge the CERIC-ERIC Consortium for the access to the Austrian SAXS beamline and TU Graz for support through the Lead Project LP-03.\r\nLikewise, the use of SOMAPP Lab, a core facility supported by the Austrian Federal Ministry of Education, Science and Research, the Graz University of Technology, the University of Graz, and Anton Paar GmbH is acknowledged. In addition, the authors acknowledge access to the D-22SANS beamline at the ILL neutron source. Electron microscopy measurements were performed at the Scientific Scenter for Optical and Electron Microscopy (ScopeM) of the Swiss Federal Institute of Technology. C.P. and J.M.M. thank A. Senol for her support with the SANS\r\nbeamtime preparation. S.D.T, A.V. and R.D. acknowledge the financial support by the Slovenian Research Agency (ARRS) research core funding P2-0393 and P2-0423. Furthermore, A.V. acknowledge the funding from the Slovenian Research Agency, research project Z2−1863.\r\nS.A.F. is indebted to IST Austria for support. ","language":[{"iso":"eng"}],"pmid":1,"fulldoi":"https://doi.org/10.1038/s41467-022-33931-4","file":[{"creator":"dernst","file_size":4216931,"relation":"main_file","date_created":"2023-01-27T07:19:11Z","access_level":"open_access","checksum":"5034336dbf0f860030ef745c08df9e0e","file_name":"2022_NatureCommunications_Prehal.pdf","content_type":"application/pdf","file_id":"12411","date_updated":"2023-01-27T07:19:11Z","success":1}],"tmp":{"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)","image":"/images/cc_by.png"},"external_id":{"isi":["000871563700006"],"pmid":["36280671"]},"intvolume":"        13","doi":"10.1038/s41467-022-33931-4","article_number":"6326","isi":1,"article_processing_charge":"No","ddc":["540"],"citation":{"apa":"Prehal, C., von Mentlen, J.-M., Drvarič Talian, S., Vizintin, A., Dominko, R., Amenitsch, H., … Wood, V. (2022). On the nanoscale structural evolution of solid discharge products in lithium-sulfur batteries using operando scattering. <i>Nature Communications</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s41467-022-33931-4\">https://doi.org/10.1038/s41467-022-33931-4</a>","mla":"Prehal, Christian, et al. “On the Nanoscale Structural Evolution of Solid Discharge Products in Lithium-Sulfur Batteries Using Operando Scattering.” <i>Nature Communications</i>, vol. 13, 6326, Springer Nature, 2022, doi:<a href=\"https://doi.org/10.1038/s41467-022-33931-4\">10.1038/s41467-022-33931-4</a>.","ieee":"C. Prehal <i>et al.</i>, “On the nanoscale structural evolution of solid discharge products in lithium-sulfur batteries using operando scattering,” <i>Nature Communications</i>, vol. 13. Springer Nature, 2022.","ista":"Prehal C, von Mentlen J-M, Drvarič Talian S, Vizintin A, Dominko R, Amenitsch H, Porcar L, Freunberger SA, Wood V. 2022. On the nanoscale structural evolution of solid discharge products in lithium-sulfur batteries using operando scattering. Nature Communications. 13, 6326.","ama":"Prehal C, von Mentlen J-M, Drvarič Talian S, et al. On the nanoscale structural evolution of solid discharge products in lithium-sulfur batteries using operando scattering. <i>Nature Communications</i>. 2022;13. doi:<a href=\"https://doi.org/10.1038/s41467-022-33931-4\">10.1038/s41467-022-33931-4</a>","short":"C. Prehal, J.-M. von Mentlen, S. Drvarič Talian, A. Vizintin, R. Dominko, H. Amenitsch, L. Porcar, S.A. Freunberger, V. Wood, Nature Communications 13 (2022).","chicago":"Prehal, Christian, Jean-Marc von Mentlen, Sara Drvarič Talian, Alen Vizintin, Robert Dominko, Heinz Amenitsch, Lionel Porcar, Stefan Alexander Freunberger, and Vanessa Wood. “On the Nanoscale Structural Evolution of Solid Discharge Products in Lithium-Sulfur Batteries Using Operando Scattering.” <i>Nature Communications</i>. Springer Nature, 2022. <a href=\"https://doi.org/10.1038/s41467-022-33931-4\">https://doi.org/10.1038/s41467-022-33931-4</a>."},"month":"10","status":"public","type":"journal_article","date_created":"2023-01-16T09:45:09Z","file_date_updated":"2023-01-27T07:19:11Z","publication":"Nature Communications","_id":"12208","quality_controlled":"1","article_type":"original","day":"24","oa":1,"title":"On the nanoscale structural evolution of solid discharge products in lithium-sulfur batteries using operando scattering","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","keyword":["General Physics and Astronomy","General Biochemistry","Genetics and Molecular Biology","General Chemistry","Multidisciplinary"]},{"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","title":"Carbon foams via ring-opening metathesis polymerization of emulsion templates: A facile method to make carbon current collectors for battery applications","keyword":["Electrical and Electronic Engineering","Materials Chemistry","Electrochemistry","Energy Engineering and Power Technology","Chemical Engineering (miscellaneous)"],"_id":"12227","publication":"ACS Applied Energy Materials","date_created":"2023-01-16T09:48:53Z","file_date_updated":"2023-01-27T09:09:15Z","oa":1,"article_type":"original","day":"16","quality_controlled":"1","status":"public","month":"10","citation":{"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. <i>ACS Applied Energy Materials</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/acsaem.2c02787\">https://doi.org/10.1021/acsaem.2c02787</a>","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.” <i>ACS Applied Energy Materials</i>, vol. 5, no. 11, American Chemical Society, 2022, pp. 14381–90, doi:<a href=\"https://doi.org/10.1021/acsaem.2c02787\">10.1021/acsaem.2c02787</a>.","ieee":"S. Kovačič <i>et al.</i>, “Carbon foams via ring-opening metathesis polymerization of emulsion templates: A facile method to make carbon current collectors for battery applications,” <i>ACS Applied Energy Materials</i>, 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.","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. <i>ACS Applied Energy Materials</i>. 2022;5(11):14381-14390. doi:<a href=\"https://doi.org/10.1021/acsaem.2c02787\">10.1021/acsaem.2c02787</a>","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.” <i>ACS Applied Energy Materials</i>. American Chemical Society, 2022. <a href=\"https://doi.org/10.1021/acsaem.2c02787\">https://doi.org/10.1021/acsaem.2c02787</a>.","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."},"type":"journal_article","issue":"11","intvolume":"         5","doi":"10.1021/acsaem.2c02787","page":"14381-14390","ddc":["540"],"article_processing_charge":"No","isi":1,"file":[{"file_name":"2022_AppliedEnergyMaterials_Kovacic.pdf","date_created":"2023-01-27T09:09:15Z","checksum":"572d15c250ab83d44f4e2c3aeb5f7388","access_level":"open_access","relation":"main_file","success":1,"file_id":"12420","date_updated":"2023-01-27T09:09:15Z","content_type":"application/pdf","creator":"dernst","file_size":13105589}],"external_id":{"isi":["000875635900001"]},"tmp":{"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)","image":"/images/cc_by.png"},"date_published":"2022-10-16T00:00:00Z","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."}],"department":[{"_id":"StFr"}],"fulldoi":"https://doi.org/10.1021/acsaem.2c02787","language":[{"iso":"eng"}],"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.","oa_version":"Published Version","corr_author":"1","publication_identifier":{"issn":["2574-0962"]},"publication_status":"published","author":[{"first_name":"Sebastijan","last_name":"Kovačič","full_name":"Kovačič, Sebastijan"},{"first_name":"Bettina","last_name":"Schafzahl","full_name":"Schafzahl, Bettina"},{"full_name":"Matsko, Nadejda B.","last_name":"Matsko","first_name":"Nadejda B."},{"first_name":"Katharina","last_name":"Gruber","full_name":"Gruber, Katharina"},{"last_name":"Schmuck","full_name":"Schmuck, Martin","first_name":"Martin"},{"first_name":"Stefan","full_name":"Koller, Stefan","last_name":"Koller"},{"id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","first_name":"Stefan Alexander","orcid":"0000-0003-2902-5319","full_name":"Freunberger, Stefan Alexander","last_name":"Freunberger"},{"full_name":"Slugovc, Christian","last_name":"Slugovc","first_name":"Christian"}],"scopus_import":"1","publisher":"American Chemical Society","date_updated":"2024-10-09T21:03:48Z","has_accepted_license":"1","volume":5,"year":"2022"},{"intvolume":"         5","doi":"10.1038/s41929-022-00752-z","page":"193-201","article_processing_charge":"No","isi":1,"status":"public","month":"03","citation":{"apa":"Cao, D., Shen, X., Wang, A., Yu, F., Wu, Y., Shi, S., … Chen, Y. (2022). Threshold potentials for fast kinetics during mediated redox catalysis of insulators in Li–O2 and Li–S batteries. <i>Nature Catalysis</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s41929-022-00752-z\">https://doi.org/10.1038/s41929-022-00752-z</a>","mla":"Cao, Deqing, et al. “Threshold Potentials for Fast Kinetics during Mediated Redox Catalysis of Insulators in Li–O2 and Li–S Batteries.” <i>Nature Catalysis</i>, vol. 5, Springer Nature, 2022, pp. 193–201, doi:<a href=\"https://doi.org/10.1038/s41929-022-00752-z\">10.1038/s41929-022-00752-z</a>.","ieee":"D. Cao <i>et al.</i>, “Threshold potentials for fast kinetics during mediated redox catalysis of insulators in Li–O2 and Li–S batteries,” <i>Nature Catalysis</i>, vol. 5. Springer Nature, pp. 193–201, 2022.","ista":"Cao D, Shen X, Wang A, Yu F, Wu Y, Shi S, Freunberger SA, Chen Y. 2022. Threshold potentials for fast kinetics during mediated redox catalysis of insulators in Li–O2 and Li–S batteries. Nature Catalysis. 5, 193–201.","ama":"Cao D, Shen X, Wang A, et al. Threshold potentials for fast kinetics during mediated redox catalysis of insulators in Li–O2 and Li–S batteries. <i>Nature Catalysis</i>. 2022;5:193-201. doi:<a href=\"https://doi.org/10.1038/s41929-022-00752-z\">10.1038/s41929-022-00752-z</a>","short":"D. Cao, X. Shen, A. Wang, F. Yu, Y. Wu, S. Shi, S.A. Freunberger, Y. Chen, Nature Catalysis 5 (2022) 193–201.","chicago":"Cao, Deqing, Xiaoxiao Shen, Aiping Wang, Fengjiao Yu, Yuping Wu, Siqi Shi, Stefan Alexander Freunberger, and Yuhui Chen. “Threshold Potentials for Fast Kinetics during Mediated Redox Catalysis of Insulators in Li–O2 and Li–S Batteries.” <i>Nature Catalysis</i>. Springer Nature, 2022. <a href=\"https://doi.org/10.1038/s41929-022-00752-z\">https://doi.org/10.1038/s41929-022-00752-z</a>."},"type":"journal_article","_id":"10813","publication":"Nature Catalysis","date_created":"2022-03-04T07:50:10Z","oa":1,"day":"03","article_type":"original","related_material":{"record":[{"relation":"earlier_version","status":"public","id":"9978"}]},"quality_controlled":"1","title":"Threshold potentials for fast kinetics during mediated redox catalysis of insulators in Li–O2 and Li–S batteries","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","main_file_link":[{"open_access":"1","url":"https://doi.org/10.21203/rs.3.rs-750965/v1"}],"keyword":["Process Chemistry and Technology","Biochemistry","Bioengineering","Catalysis"],"author":[{"full_name":"Cao, Deqing","last_name":"Cao","first_name":"Deqing"},{"full_name":"Shen, Xiaoxiao","last_name":"Shen","first_name":"Xiaoxiao"},{"first_name":"Aiping","full_name":"Wang, Aiping","last_name":"Wang"},{"first_name":"Fengjiao","last_name":"Yu","full_name":"Yu, Fengjiao"},{"full_name":"Wu, Yuping","last_name":"Wu","first_name":"Yuping"},{"full_name":"Shi, Siqi","last_name":"Shi","first_name":"Siqi"},{"orcid":"0000-0003-2902-5319","last_name":"Freunberger","full_name":"Freunberger, Stefan Alexander","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","first_name":"Stefan Alexander"},{"first_name":"Yuhui","last_name":"Chen","full_name":"Chen, Yuhui"}],"scopus_import":"1","publication_status":"published","volume":5,"year":"2022","publisher":"Springer Nature","date_updated":"2024-10-09T21:01:46Z","oa_version":"Preprint","publication_identifier":{"issn":["2520-1158"]},"corr_author":"1","abstract":[{"lang":"eng","text":"Redox mediators could catalyse otherwise slow and energy-inefficient cycling of Li–S and Li–O2 batteries by shuttling electrons or holes between the electrode and the solid insulating storage materials. For mediators to work efficiently they need to oxidize the solid with fast kinetics but with the lowest possible overpotential. However, the dependence of kinetics and overpotential is unclear, which hinders informed improvement. Here, we find that when the redox potentials of mediators are tuned via, for example, Li+ concentration in the electrolyte, they exhibit distinct threshold potentials, where the kinetics accelerate several-fold within a range as small as 10 mV. This phenomenon is independent of types of mediator and electrolyte. The acceleration originates from the overpotentials required to activate fast Li+/e− extraction and the following chemical step at specific abundant surface facets. Efficient redox catalysis at insulating solids therefore requires careful consideration of the surface conditions of the storage materials and electrolyte-dependent redox potentials, which may be tuned by salt concentrations or solvents."}],"department":[{"_id":"StFr"}],"date_published":"2022-03-03T00:00:00Z","acknowledgement":"This work was financially supported by the National Natural Science Foundation of China (grant nos. 51773092, 21975124, 11874254, 51802187 and U2030206). It was further supported by Fujian science & technology innovation laboratory for energy devices of China (21C-LAB), Key Research Project of Zhejiang Laboratory (grant no. 2021PE0AC02) and the Cultivation Program for the Excellent Doctoral Dissertation of Nanjing Tech University. S.A.F. is indebted to IST Austria for support.","language":[{"iso":"eng"}],"fulldoi":"https://doi.org/10.1038/s41929-022-00752-z","external_id":{"isi":["000763879400001"]}}]