Matches in SemOpenAlex for { <https://semopenalex.org/work/W4310291189> ?p ?o ?g. }
- W4310291189 endingPage "155913" @default.
- W4310291189 startingPage "155913" @default.
- W4310291189 abstract "Bimetallic alloy catalysts often display superior performance to their monometallic counterparts in numerous chemical reactions, whose reactivity and selectivity primarily depend on their surface structures and chemical compositions under reaction environments. Predicting the structure and composition of alloy surfaces under reaction conditions is still challenging. In this work, using density-functional theory with ab initio thermodynamics, we examine the surface structures of the Cu-Au alloy system under different preparation and oxidative environments. We analyze the stability of thin copper oxide layers on various substrates, ranging from clean Au(111) to Au3Cu and their mixtures, and Cu overlayer structures. Our results show that the stability of the oxide layer structures strongly depend on the atomic configurations of the substrate. We also explore the possibility of using computational surface characterization methods to capture the atomic configurations and electronic structure of different interfacial regions of these substrates. Our electronic structure analysis demonstrates that controlling the concentration of surface Cu allows one to fine tune the surface electronic structure, and modulating the growth conditions to express the desired surface oxide phase may achieve the same effect. By providing an atomic-scale account, this study aims to capture the atomic configurations and electronic structure of different interfacial regions of these complex oxidic Cu/Au nanoalloys for selective oxidation reactions." @default.
- W4310291189 created "2022-11-30" @default.
- W4310291189 creator A5003625501 @default.
- W4310291189 creator A5009108662 @default.
- W4310291189 creator A5012423737 @default.
- W4310291189 creator A5024794368 @default.
- W4310291189 creator A5025434478 @default.
- W4310291189 creator A5031793319 @default.
- W4310291189 creator A5047107005 @default.
- W4310291189 creator A5054528977 @default.
- W4310291189 creator A5082469506 @default.
- W4310291189 date "2023-03-01" @default.
- W4310291189 modified "2023-09-30" @default.
- W4310291189 title "Oxidic structures on copper-gold alloy nanofacets" @default.
- W4310291189 cites W119829098 @default.
- W4310291189 cites W1965676014 @default.
- W4310291189 cites W1965711309 @default.
- W4310291189 cites W1967479452 @default.
- W4310291189 cites W1969737717 @default.
- W4310291189 cites W1979544533 @default.
- W4310291189 cites W1980317218 @default.
- W4310291189 cites W1980432683 @default.
- W4310291189 cites W1981368803 @default.
- W4310291189 cites W1984282929 @default.
- W4310291189 cites W1996399765 @default.
- W4310291189 cites W1997947754 @default.
- W4310291189 cites W2008160179 @default.
- W4310291189 cites W2010024258 @default.
- W4310291189 cites W2016632908 @default.
- W4310291189 cites W2017142292 @default.
- W4310291189 cites W2022298832 @default.
- W4310291189 cites W2022393247 @default.
- W4310291189 cites W2029842534 @default.
- W4310291189 cites W2030667580 @default.
- W4310291189 cites W2031049521 @default.
- W4310291189 cites W2034249671 @default.
- W4310291189 cites W2034275169 @default.
- W4310291189 cites W2037235399 @default.
- W4310291189 cites W2043818083 @default.
- W4310291189 cites W2052752206 @default.
- W4310291189 cites W2052956262 @default.
- W4310291189 cites W2055780818 @default.
- W4310291189 cites W2057538102 @default.
- W4310291189 cites W2068440116 @default.
- W4310291189 cites W2070629885 @default.
- W4310291189 cites W2079105963 @default.
- W4310291189 cites W2083222334 @default.
- W4310291189 cites W2092043306 @default.
- W4310291189 cites W2092583295 @default.
- W4310291189 cites W2098660546 @default.
- W4310291189 cites W2115563865 @default.
- W4310291189 cites W2164278090 @default.
- W4310291189 cites W2169904128 @default.
- W4310291189 cites W2283913936 @default.
- W4310291189 cites W2313368329 @default.
- W4310291189 cites W2323349911 @default.
- W4310291189 cites W2331291791 @default.
- W4310291189 cites W2334337876 @default.
- W4310291189 cites W2466043667 @default.
- W4310291189 cites W2472003857 @default.
- W4310291189 cites W2568720375 @default.
- W4310291189 cites W2619141030 @default.
- W4310291189 cites W2787185591 @default.
- W4310291189 cites W2794458711 @default.
- W4310291189 cites W2809448725 @default.
- W4310291189 cites W3103498649 @default.
- W4310291189 cites W3113238220 @default.
- W4310291189 cites W3115962819 @default.
- W4310291189 cites W3127722911 @default.
- W4310291189 cites W3164023394 @default.
- W4310291189 cites W3216053601 @default.
- W4310291189 cites W4212827343 @default.
- W4310291189 cites W4238308358 @default.
- W4310291189 cites W4376848515 @default.
- W4310291189 doi "https://doi.org/10.1016/j.apsusc.2022.155913" @default.
- W4310291189 hasPublicationYear "2023" @default.
- W4310291189 type Work @default.
- W4310291189 citedByCount "0" @default.
- W4310291189 crossrefType "journal-article" @default.
- W4310291189 hasAuthorship W4310291189A5003625501 @default.
- W4310291189 hasAuthorship W4310291189A5009108662 @default.
- W4310291189 hasAuthorship W4310291189A5012423737 @default.
- W4310291189 hasAuthorship W4310291189A5024794368 @default.
- W4310291189 hasAuthorship W4310291189A5025434478 @default.
- W4310291189 hasAuthorship W4310291189A5031793319 @default.
- W4310291189 hasAuthorship W4310291189A5047107005 @default.
- W4310291189 hasAuthorship W4310291189A5054528977 @default.
- W4310291189 hasAuthorship W4310291189A5082469506 @default.
- W4310291189 hasConcept C111368507 @default.
- W4310291189 hasConcept C127313418 @default.
- W4310291189 hasConcept C142724271 @default.
- W4310291189 hasConcept C147597530 @default.
- W4310291189 hasConcept C147789679 @default.
- W4310291189 hasConcept C152365726 @default.
- W4310291189 hasConcept C159467904 @default.
- W4310291189 hasConcept C171250308 @default.
- W4310291189 hasConcept C178790620 @default.
- W4310291189 hasConcept C185592680 @default.