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Theoretical Considerations on the Electroreduction of CO to C2 Species on Cu(100) Electrodes

Angewandte Chemie (International ed.), 2013-07, Vol.52 (28), p.7282-7285 [Peer Reviewed Journal]

Copyright © 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim ;ISSN: 1433-7851 ;EISSN: 1521-3773 ;DOI: 10.1002/anie.201301470 ;PMID: 23733719 ;CODEN: ACIEAY

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  • Title:
    Theoretical Considerations on the Electroreduction of CO to C2 Species on Cu(100) Electrodes
  • Author: Calle-Vallejo, Federico ; Koper, Marc T. M.
  • Subjects: CO reduction ; CO2 reduction ; density functional theory ; electrocatalysis ; reaction pathway
  • Is Part Of: Angewandte Chemie (International ed.), 2013-07, Vol.52 (28), p.7282-7285
  • Description: CO‐products: DFT calculations are used to construct a mechanism for the electrochemical reduction of CO on Cu(100) that agrees with the experimental observations (see picture) of pH independence in the formation of C2 species. The rate‐determining step is an electron‐transfer‐mediated CO dimerization. Ethylene, acetaldehyde, and ethanol are formed through a common pathway, and adsorbed ethylene oxide is one of the reaction intermediates.
  • Publisher: Weinheim: WILEY-VCH Verlag
  • Language: English
  • Identifier: ISSN: 1433-7851
    EISSN: 1521-3773
    DOI: 10.1002/anie.201301470
    PMID: 23733719
    CODEN: ACIEAY
  • Source: Alma/SFX Local Collection
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