Matches in SemOpenAlex for { <https://semopenalex.org/work/W2081457579> ?p ?o ?g. }
- W2081457579 endingPage "679" @default.
- W2081457579 startingPage "671" @default.
- W2081457579 abstract "Vinyl acetate (VA) synthesis on Pd/Au(111) and Pd/Au(100) surfaces has been systematically investigated through first-principles density functional theory (DFT) calculations. The DFT results showed that for VA synthesis, the ‘Samanos’ reaction mechanism (i.e., direct coupling of coadsorbed ethylene and acetate species and subsequent β-hydride elimination to form VA) is more favorable than the ‘Moiseev’ mechanism (i.e., ethylene first dehydrogenates to form vinyl species which then couple with the coadsorbed acetate species to form VA). More importantly, it was found the surface coverage of acetate has a significant effect on the reactivity of VA synthesis, and the activation energy of the rate-controlling step on Pd/Au(100) surface is smaller than that on Pd/Au(111) surface (0.88 vs. 0.95 eV), indicating the former is more active than the latter." @default.
- W2081457579 created "2016-06-24" @default.
- W2081457579 creator A5013508325 @default.
- W2081457579 creator A5022707622 @default.
- W2081457579 creator A5025060626 @default.
- W2081457579 date "2013-07-01" @default.
- W2081457579 modified "2023-10-16" @default.
- W2081457579 title "Acetate coverage effect on the reactivity of vinyl acetate synthesis on Pd/Au alloy surfaces" @default.
- W2081457579 cites W1554914943 @default.
- W2081457579 cites W1966027667 @default.
- W2081457579 cites W1968634298 @default.
- W2081457579 cites W1970127494 @default.
- W2081457579 cites W1970652031 @default.
- W2081457579 cites W1972725254 @default.
- W2081457579 cites W1973581951 @default.
- W2081457579 cites W1976571179 @default.
- W2081457579 cites W1979544533 @default.
- W2081457579 cites W1982092982 @default.
- W2081457579 cites W1987597354 @default.
- W2081457579 cites W1987923463 @default.
- W2081457579 cites W1992174075 @default.
- W2081457579 cites W1997184644 @default.
- W2081457579 cites W1999733452 @default.
- W2081457579 cites W2000723365 @default.
- W2081457579 cites W2003449600 @default.
- W2081457579 cites W2007395042 @default.
- W2081457579 cites W2010821175 @default.
- W2081457579 cites W2022273226 @default.
- W2081457579 cites W2024531343 @default.
- W2081457579 cites W2030033701 @default.
- W2081457579 cites W2030276460 @default.
- W2081457579 cites W2030588078 @default.
- W2081457579 cites W2030939004 @default.
- W2081457579 cites W2033013718 @default.
- W2081457579 cites W2042710617 @default.
- W2081457579 cites W2047922134 @default.
- W2081457579 cites W2053805805 @default.
- W2081457579 cites W2066512076 @default.
- W2081457579 cites W2066731978 @default.
- W2081457579 cites W2068035701 @default.
- W2081457579 cites W2070236487 @default.
- W2081457579 cites W2071328846 @default.
- W2081457579 cites W2071876455 @default.
- W2081457579 cites W2076089449 @default.
- W2081457579 cites W2082216172 @default.
- W2081457579 cites W2087698390 @default.
- W2081457579 cites W2088508562 @default.
- W2081457579 cites W2090507985 @default.
- W2081457579 cites W2100657568 @default.
- W2081457579 cites W2109283903 @default.
- W2081457579 cites W2111901715 @default.
- W2081457579 cites W2122427541 @default.
- W2081457579 cites W2134760160 @default.
- W2081457579 cites W2159742564 @default.
- W2081457579 cites W2170583371 @default.
- W2081457579 cites W3206606417 @default.
- W2081457579 doi "https://doi.org/10.1016/s2095-4956(13)60089-3" @default.
- W2081457579 hasPublicationYear "2013" @default.
- W2081457579 type Work @default.
- W2081457579 sameAs 2081457579 @default.
- W2081457579 citedByCount "23" @default.
- W2081457579 countsByYear W20814575792014 @default.
- W2081457579 countsByYear W20814575792015 @default.
- W2081457579 countsByYear W20814575792016 @default.
- W2081457579 countsByYear W20814575792017 @default.
- W2081457579 countsByYear W20814575792018 @default.
- W2081457579 countsByYear W20814575792019 @default.
- W2081457579 countsByYear W20814575792020 @default.
- W2081457579 countsByYear W20814575792021 @default.
- W2081457579 countsByYear W20814575792022 @default.
- W2081457579 countsByYear W20814575792023 @default.
- W2081457579 crossrefType "journal-article" @default.
- W2081457579 hasAuthorship W2081457579A5013508325 @default.
- W2081457579 hasAuthorship W2081457579A5022707622 @default.
- W2081457579 hasAuthorship W2081457579A5025060626 @default.
- W2081457579 hasConcept C142724271 @default.
- W2081457579 hasConcept C147597530 @default.
- W2081457579 hasConcept C152365726 @default.
- W2081457579 hasConcept C15920480 @default.
- W2081457579 hasConcept C161790260 @default.
- W2081457579 hasConcept C178790620 @default.
- W2081457579 hasConcept C185592680 @default.
- W2081457579 hasConcept C204787440 @default.
- W2081457579 hasConcept C2776093513 @default.
- W2081457579 hasConcept C2776910235 @default.
- W2081457579 hasConcept C2777961443 @default.
- W2081457579 hasConcept C2778597550 @default.
- W2081457579 hasConcept C2780762185 @default.
- W2081457579 hasConcept C521977710 @default.
- W2081457579 hasConcept C544153396 @default.
- W2081457579 hasConcept C65024703 @default.
- W2081457579 hasConcept C71924100 @default.
- W2081457579 hasConcept C75473681 @default.
- W2081457579 hasConceptScore W2081457579C142724271 @default.
- W2081457579 hasConceptScore W2081457579C147597530 @default.
- W2081457579 hasConceptScore W2081457579C152365726 @default.
- W2081457579 hasConceptScore W2081457579C15920480 @default.
- W2081457579 hasConceptScore W2081457579C161790260 @default.