Department of Energy Science and Engineering
Ab initio multi-scale engineering Lab(AIMS-E Lab)
1. Journal Articles
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| 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 | Chem Catalysis, v.1, no.6, pp.1160 - 1162 | - |
| 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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