FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4386859172> ?p ?o ?g. }

• W4386859172 endingPage "107953" @default.
• W4386859172 startingPage "107953" @default.
• W4386859172 abstract "Copper single-atom alloy catalysts (M@Cu SAAs) have shown great promise for electrochemical CO2 reduction reaction (CO2RR). However, a clear understanding of the CO2RR process on M@Cu SAAs is still lacking. This study uses density functional theoretical (DFT) calculations to obtain a comprehensive mechanism and the origin of activity of M@Cu SAAs. The importance of the adsorption mode of M@Cu is revealed: key intermediates either adsorbed in the adjacent hollow site around Cu atoms (AD mode) or adsorbed directly on the top site of M (SE mode). AD mode generally exhibits finely tuned binding strengths of key intermediates, which significantly enhances the activity of the catalysts. Increasing the coverage of ∗CO on the M@Cu with SE mode leads to relocation of the active site, resulting in improved activity of C2 products. The insights gained in this work have significant implications for rational design strategy toward efficient CO2RR electrocatalysts." @default.
• W4386859172 created "2023-09-20" @default.
• W4386859172 creator A5016873276 @default.
• W4386859172 creator A5034722101 @default.
• W4386859172 creator A5044701151 @default.
• W4386859172 creator A5045122395 @default.
• W4386859172 creator A5062755510 @default.
• W4386859172 creator A5066503958 @default.
• W4386859172 creator A5067119120 @default.
• W4386859172 creator A5082419562 @default.
• W4386859172 date "2023-10-01" @default.
• W4386859172 modified "2023-10-10" @default.
• W4386859172 title "Insights into the Mechanism in Electrochemical CO2 Reduction over Single-atom Copper Alloy Catalysts: A DFT Study" @default.
• W4386859172 cites W1965108339 @default.
• W4386859172 cites W1970127494 @default.
• W4386859172 cites W1979544533 @default.
• W4386859172 cites W1981368803 @default.
• W4386859172 cites W1992591486 @default.
• W4386859172 cites W1997965432 @default.
• W4386859172 cites W2005503422 @default.
• W4386859172 cites W2007395042 @default.
• W4386859172 cites W2022714449 @default.
• W4386859172 cites W2024117507 @default.
• W4386859172 cites W2026091032 @default.
• W4386859172 cites W2038378025 @default.
• W4386859172 cites W2044543006 @default.
• W4386859172 cites W2044591029 @default.
• W4386859172 cites W2058616764 @default.
• W4386859172 cites W2060023027 @default.
• W4386859172 cites W2082619226 @default.
• W4386859172 cites W2083222334 @default.
• W4386859172 cites W2084611124 @default.
• W4386859172 cites W2106139303 @default.
• W4386859172 cites W2136598012 @default.
• W4386859172 cites W2235057933 @default.
• W4386859172 cites W2246944211 @default.
• W4386859172 cites W2292255513 @default.
• W4386859172 cites W2304696404 @default.
• W4386859172 cites W2314642759 @default.
• W4386859172 cites W2315133715 @default.
• W4386859172 cites W2319865050 @default.
• W4386859172 cites W2336491454 @default.
• W4386859172 cites W2521736035 @default.
• W4386859172 cites W2552233834 @default.
• W4386859172 cites W2751014015 @default.
• W4386859172 cites W2765422782 @default.
• W4386859172 cites W2766427859 @default.
• W4386859172 cites W2800244740 @default.
• W4386859172 cites W2800329903 @default.
• W4386859172 cites W2885901182 @default.
• W4386859172 cites W2886495415 @default.
• W4386859172 cites W2897619532 @default.
• W4386859172 cites W2947264857 @default.
• W4386859172 cites W2948819895 @default.
• W4386859172 cites W2955787716 @default.
• W4386859172 cites W2985601352 @default.
• W4386859172 cites W2989693584 @default.
• W4386859172 cites W2999482379 @default.
• W4386859172 cites W3001412333 @default.
• W4386859172 cites W3025104221 @default.
• W4386859172 cites W3101544822 @default.
• W4386859172 cites W3104436797 @default.
• W4386859172 cites W3161056544 @default.
• W4386859172 cites W3167634342 @default.
• W4386859172 cites W3195229152 @default.
• W4386859172 cites W3195258996 @default.
• W4386859172 cites W3196636719 @default.
• W4386859172 cites W3200065970 @default.
• W4386859172 cites W3217496795 @default.
• W4386859172 cites W4206986715 @default.
• W4386859172 cites W4210392753 @default.
• W4386859172 cites W4220680667 @default.
• W4386859172 cites W4220892211 @default.
• W4386859172 cites W4283122971 @default.
• W4386859172 cites W4289816801 @default.
• W4386859172 cites W4289817125 @default.
• W4386859172 cites W4306176972 @default.
• W4386859172 cites W4311881502 @default.
• W4386859172 cites W4315784607 @default.
• W4386859172 doi "https://doi.org/10.1016/j.isci.2023.107953" @default.
• W4386859172 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37810218" @default.
• W4386859172 hasPublicationYear "2023" @default.
• W4386859172 type Work @default.
• W4386859172 citedByCount "0" @default.
• W4386859172 crossrefType "journal-article" @default.
• W4386859172 hasAuthorship W4386859172A5016873276 @default.
• W4386859172 hasAuthorship W4386859172A5034722101 @default.
• W4386859172 hasAuthorship W4386859172A5044701151 @default.
• W4386859172 hasAuthorship W4386859172A5045122395 @default.
• W4386859172 hasAuthorship W4386859172A5062755510 @default.
• W4386859172 hasAuthorship W4386859172A5066503958 @default.
• W4386859172 hasAuthorship W4386859172A5067119120 @default.
• W4386859172 hasAuthorship W4386859172A5082419562 @default.
• W4386859172 hasBestOaLocation W43868591721 @default.
• W4386859172 hasConcept C147597530 @default.
• W4386859172 hasConcept C147789679 @default.
• W4386859172 hasConcept C149635348 @default.
• W4386859172 hasConcept C150394285 @default.

• next