Matches in SemOpenAlex for { <https://semopenalex.org/work/W2890950831> ?p ?o ?g. }
- W2890950831 endingPage "10155" @default.
- W2890950831 startingPage "10148" @default.
- W2890950831 abstract "Synthesis gas (CO + H2) conversion is an important process in the transformation of coal, natural gas, or biomass into higher-value products. The explicit conversion into C2+ oxygenates on transition-metal-based catalysts suffers from a low selectivity, being a consequence of an imperative integration of C–O bond splitting and C–C coupling reactions. Recently, it has been demonstrated that a bimetallic CuCo catalyst has high higher alcohol selectivity under mild reaction conditions, but the details of the reaction mechanism on the surface are still elusive. In this work, we studied the formation of methane, methanol, and ethanol from syngas on a close-packed (111) and a stepped (211) CuCo surface combining density functional theory (DFT) and microkinetic modeling. We found the CuCo alloy to be a promising candidate catalyst, displaying the required coverage of CO and CHx on the surface to facilitate C–C coupling. In addition, we found the selectivity to be very structure sensitive: the CuCo (211) surface is selective toward ethanol under certain reaction conditions, while the (111) surface is selective toward methanol. We identified the much lower C–O dissociation barrier and the higher rate of CHx–CO coupling as the reason for the high activity and selectivity toward ethanol on the (211) surface." @default.
- W2890950831 created "2018-09-27" @default.
- W2890950831 creator A5003934748 @default.
- W2890950831 creator A5004947752 @default.
- W2890950831 creator A5014248031 @default.
- W2890950831 creator A5033735526 @default.
- W2890950831 creator A5036621108 @default.
- W2890950831 creator A5044398941 @default.
- W2890950831 creator A5049325912 @default.
- W2890950831 creator A5055238911 @default.
- W2890950831 creator A5089467317 @default.
- W2890950831 date "2018-09-14" @default.
- W2890950831 modified "2023-10-16" @default.
- W2890950831 title "Mechanistic Insights into the Synthesis of Higher Alcohols from Syngas on CuCo Alloys" @default.
- W2890950831 cites W1904281306 @default.
- W2890950831 cites W1964495448 @default.
- W2890950831 cites W1973634181 @default.
- W2890950831 cites W1975314425 @default.
- W2890950831 cites W1981491642 @default.
- W2890950831 cites W1990716310 @default.
- W2890950831 cites W1991207808 @default.
- W2890950831 cites W1994333636 @default.
- W2890950831 cites W1998075068 @default.
- W2890950831 cites W2002978175 @default.
- W2890950831 cites W2008897144 @default.
- W2890950831 cites W2011377242 @default.
- W2890950831 cites W2040649578 @default.
- W2890950831 cites W2041393814 @default.
- W2890950831 cites W2060549882 @default.
- W2890950831 cites W2063198976 @default.
- W2890950831 cites W2072739077 @default.
- W2890950831 cites W2073632700 @default.
- W2890950831 cites W2090918273 @default.
- W2890950831 cites W2120145199 @default.
- W2890950831 cites W2127068499 @default.
- W2890950831 cites W2155468048 @default.
- W2890950831 cites W2158161993 @default.
- W2890950831 cites W2159716039 @default.
- W2890950831 cites W2255254896 @default.
- W2890950831 cites W2266904741 @default.
- W2890950831 cites W2282210366 @default.
- W2890950831 cites W2283911269 @default.
- W2890950831 cites W2325892136 @default.
- W2890950831 cites W2328928309 @default.
- W2890950831 cites W2338512862 @default.
- W2890950831 cites W2513640751 @default.
- W2890950831 cites W2523660193 @default.
- W2890950831 cites W2528925652 @default.
- W2890950831 cites W2529544802 @default.
- W2890950831 cites W2565036453 @default.
- W2890950831 cites W2569865678 @default.
- W2890950831 cites W2592564749 @default.
- W2890950831 cites W2765422782 @default.
- W2890950831 cites W2792399670 @default.
- W2890950831 cites W2802735530 @default.
- W2890950831 cites W2808287754 @default.
- W2890950831 doi "https://doi.org/10.1021/acscatal.8b01596" @default.
- W2890950831 hasPublicationYear "2018" @default.
- W2890950831 type Work @default.
- W2890950831 sameAs 2890950831 @default.
- W2890950831 citedByCount "64" @default.
- W2890950831 countsByYear W28909508312019 @default.
- W2890950831 countsByYear W28909508312020 @default.
- W2890950831 countsByYear W28909508312021 @default.
- W2890950831 countsByYear W28909508312022 @default.
- W2890950831 countsByYear W28909508312023 @default.
- W2890950831 crossrefType "journal-article" @default.
- W2890950831 hasAuthorship W2890950831A5003934748 @default.
- W2890950831 hasAuthorship W2890950831A5004947752 @default.
- W2890950831 hasAuthorship W2890950831A5014248031 @default.
- W2890950831 hasAuthorship W2890950831A5033735526 @default.
- W2890950831 hasAuthorship W2890950831A5036621108 @default.
- W2890950831 hasAuthorship W2890950831A5044398941 @default.
- W2890950831 hasAuthorship W2890950831A5049325912 @default.
- W2890950831 hasAuthorship W2890950831A5055238911 @default.
- W2890950831 hasAuthorship W2890950831A5089467317 @default.
- W2890950831 hasBestOaLocation W28909508312 @default.
- W2890950831 hasConcept C102931765 @default.
- W2890950831 hasConcept C108285982 @default.
- W2890950831 hasConcept C110686534 @default.
- W2890950831 hasConcept C118792377 @default.
- W2890950831 hasConcept C127413603 @default.
- W2890950831 hasConcept C147597530 @default.
- W2890950831 hasConcept C147789679 @default.
- W2890950831 hasConcept C152365726 @default.
- W2890950831 hasConcept C161790260 @default.
- W2890950831 hasConcept C178790620 @default.
- W2890950831 hasConcept C179104552 @default.
- W2890950831 hasConcept C185592680 @default.
- W2890950831 hasConcept C194439259 @default.
- W2890950831 hasConcept C2779607525 @default.
- W2890950831 hasConcept C42360764 @default.
- W2890950831 hasConcept C43411465 @default.
- W2890950831 hasConcept C516920438 @default.
- W2890950831 hasConceptScore W2890950831C102931765 @default.
- W2890950831 hasConceptScore W2890950831C108285982 @default.
- W2890950831 hasConceptScore W2890950831C110686534 @default.
- W2890950831 hasConceptScore W2890950831C118792377 @default.