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Approaching in-depth mechanistic understanding of electrochemical hydrogen conversion from computational simulations
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dc.contributor.author Ringe, Stefan -
dc.date.accessioned 2022-01-24T02:30:01Z -
dc.date.available 2022-01-24T02:30:01Z -
dc.date.created 2022-01-24 -
dc.date.issued 2021-11 -
dc.identifier.issn 2667-1093 -
dc.identifier.uri http://hdl.handle.net/20.500.11750/16152 -
dc.description.abstract In this issue, Gao and Wang present new mechanistic insights about the electrochemical hydrogen evolution and oxidation reactions on Pt(111). For this they perform micro-kinetic modeling utilizing constant potential activation barriers derived from grand-canonical density functional theory to gain insights on the origin of the Tafel slope, coverages, and rate-limiting steps. -
dc.language English -
dc.publisher Elsevier BV -
dc.title Approaching in-depth mechanistic understanding of electrochemical hydrogen conversion from computational simulations -
dc.type Article -
dc.identifier.doi 10.1016/j.checat.2021.10.019 -
dc.identifier.scopusid 2-s2.0-85126077143 -
dc.identifier.bibliographicCitation Ringe, Stefan. (2021-11). Approaching in-depth mechanistic understanding of electrochemical hydrogen conversion from computational simulations. Chem Catalysis, 1(6), 1160–1162. doi: 10.1016/j.checat.2021.10.019 -
dc.description.isOpenAccess FALSE -
dc.subject.keywordPlus OXIDATION -
dc.subject.keywordPlus PH -
dc.subject.keywordPlus EVOLUTION -
dc.citation.endPage 1162 -
dc.citation.number 6 -
dc.citation.startPage 1160 -
dc.citation.title Chem Catalysis -
dc.citation.volume 1 -
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