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• W2090199901 abstract "Extensive density-functional theory calculations, and taking into account temperature and pressure, affords a comprehensive picture of the behavior and interaction of oxygen and Ag(111), and provides valuable insight into the function of silver as an oxidation catalyst. The obtained phase-diagram reveals the most stable species present in a given environment and thus identifies (and excludes) possibly active oxygen species. In particular, for the conditions of ethylene epoxidation, a thin oxide-like structure is most stable, suggesting that such atomic O species are actuating the catalysis, in contrast to hitherto proposed molecular-like species." @default.
• W2090199901 created "2016-06-24" @default.
• W2090199901 creator A5055160391 @default.
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• W2090199901 date "2003-06-25" @default.
• W2090199901 modified "2023-10-18" @default.
• W2090199901 title "Why is a Noble Metal Catalytically Active? The Role of the O-Ag Interaction in the Function of Silver as an Oxidation Catalyst" @default.
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• W2090199901 doi "https://doi.org/10.1103/physrevlett.90.256102" @default.
• W2090199901 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/12857148" @default.
• W2090199901 hasPublicationYear "2003" @default.
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