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- W2893306684 startingPage "175" @default.
- W2893306684 abstract "Abstract Five transition metals (Ni, Ru, Rh, Ag, and Au) were investigated here using DFT calculations for their catalytic activities in the CsbndO bond coupling to form CH3COOH (CH3CO∗ + OH∗ → CH3COOH∗ + ∗) and the CsbndC bond cleavage (CHCO∗ + ∗ → CH∗ + CO∗) that are key competing reactions towards compete ethanol oxidation reaction (EOR). These results were also compared with the previous studies of Ir, Pt, Pd, and Cu. The DFT results show that Ni, Ru, and Ir exhibit the most desired activities toward the complete EOR and Pt, Au, Ag, and Cu show the activities towards the CsbndO coupling reaction. In addition to the geometric effects of the adsorbed reactants, the intrinsic properties were considered and correlated to the distinct performances of these catalysts for a better understanding of the results. The current theoretical investigations provide a systematic assessment and fundamental guidance for the screening of potential catalysts towards complete EOR in future experimental studies." @default.
- W2893306684 created "2018-10-05" @default.
- W2893306684 creator A5003591630 @default.
- W2893306684 creator A5011610308 @default.
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- W2893306684 creator A5037531970 @default.
- W2893306684 creator A5045732051 @default.
- W2893306684 creator A5055014215 @default.
- W2893306684 date "2019-01-01" @default.
- W2893306684 modified "2023-10-17" @default.
- W2893306684 title "DFT studies on the key competing reaction steps towards complete ethanol oxidation on transition metal catalysts" @default.
- W2893306684 cites W1166607808 @default.
- W2893306684 cites W1424010492 @default.
- W2893306684 cites W1568831666 @default.
- W2893306684 cites W1590921935 @default.
- W2893306684 cites W1821479549 @default.
- W2893306684 cites W1846076941 @default.
- W2893306684 cites W1961983105 @default.
- W2893306684 cites W1965411654 @default.
- W2893306684 cites W1965752441 @default.
- W2893306684 cites W1966750682 @default.
- W2893306684 cites W1966832235 @default.
- W2893306684 cites W1968522693 @default.
- W2893306684 cites W1975838767 @default.
- W2893306684 cites W1976310442 @default.
- W2893306684 cites W1976781359 @default.
- W2893306684 cites W1976875146 @default.
- W2893306684 cites W1980498164 @default.
- W2893306684 cites W1981085636 @default.
- W2893306684 cites W1981368803 @default.
- W2893306684 cites W1987857865 @default.
- W2893306684 cites W1989330305 @default.
- W2893306684 cites W1994336595 @default.
- W2893306684 cites W1996625958 @default.
- W2893306684 cites W1996664931 @default.
- W2893306684 cites W2007392712 @default.
- W2893306684 cites W2008558391 @default.
- W2893306684 cites W2010915074 @default.
- W2893306684 cites W2012152438 @default.
- W2893306684 cites W2015346122 @default.
- W2893306684 cites W2016230806 @default.
- W2893306684 cites W2016242543 @default.
- W2893306684 cites W2018183049 @default.
- W2893306684 cites W2019889716 @default.
- W2893306684 cites W2022508696 @default.
- W2893306684 cites W2023672443 @default.
- W2893306684 cites W2024475084 @default.
- W2893306684 cites W2024565617 @default.
- W2893306684 cites W2024613903 @default.
- W2893306684 cites W2026766950 @default.
- W2893306684 cites W2031602169 @default.
- W2893306684 cites W2032709305 @default.
- W2893306684 cites W2033606159 @default.
- W2893306684 cites W2034711707 @default.
- W2893306684 cites W2035688331 @default.
- W2893306684 cites W2036113194 @default.
- W2893306684 cites W2036148219 @default.
- W2893306684 cites W2037985636 @default.
- W2893306684 cites W2038565661 @default.
- W2893306684 cites W2039492140 @default.
- W2893306684 cites W2043468966 @default.
- W2893306684 cites W2044991188 @default.
- W2893306684 cites W2048975790 @default.
- W2893306684 cites W2049498542 @default.
- W2893306684 cites W2053365016 @default.
- W2893306684 cites W2057285950 @default.
- W2893306684 cites W2058290011 @default.
- W2893306684 cites W2066208466 @default.
- W2893306684 cites W2067758132 @default.
- W2893306684 cites W2067827137 @default.
- W2893306684 cites W2072611830 @default.
- W2893306684 cites W2074440069 @default.
- W2893306684 cites W2074514175 @default.
- W2893306684 cites W2077698884 @default.
- W2893306684 cites W2083942725 @default.
- W2893306684 cites W2085629114 @default.
- W2893306684 cites W2087013611 @default.
- W2893306684 cites W2088716917 @default.
- W2893306684 cites W2088750325 @default.
- W2893306684 cites W2091775405 @default.
- W2893306684 cites W2092244272 @default.
- W2893306684 cites W2104929472 @default.
- W2893306684 cites W2105438671 @default.
- W2893306684 cites W2133550536 @default.
- W2893306684 cites W2142756260 @default.
- W2893306684 cites W2144215008 @default.
- W2893306684 cites W2149433581 @default.
- W2893306684 cites W2151360002 @default.
- W2893306684 cites W2181728931 @default.
- W2893306684 cites W2194061854 @default.
- W2893306684 cites W2215481080 @default.
- W2893306684 cites W2291188705 @default.
- W2893306684 cites W2298999917 @default.
- W2893306684 cites W2315578024 @default.
- W2893306684 cites W2320359160 @default.
- W2893306684 cites W2320776307 @default.
- W2893306684 cites W2321434717 @default.
- W2893306684 cites W2323662054 @default.