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Issue 25, 2018
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A computational exploration of CO2 reduction via CO dimerization on mixed-valence copper oxide surface

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Abstract

The catalytic role of Cu ions in CO2 reduction on oxide-derived Cu has been elusive. In the presence of oxygen vacancy, CO⋯CO dimerization is predicted to be thermodynamically favorable with an accessible barrier on Cu4O3(202). The material's mixed valency is responsible for stabilizing the charge-separated (OC)δ+(CO)δ− intermediate.

Graphical abstract: A computational exploration of CO2 reduction via CO dimerization on mixed-valence copper oxide surface

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Publication details

The article was received on 26 Jan 2018, accepted on 11 Apr 2018 and first published on 11 Apr 2018


Article type: Communication
DOI: 10.1039/C8CP00592C
Citation: Phys. Chem. Chem. Phys., 2018,20, 16906-16909
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    A computational exploration of CO2 reduction via CO dimerization on mixed-valence copper oxide surface

    C. Chang, E. Y. Li and M. Tsai, Phys. Chem. Chem. Phys., 2018, 20, 16906
    DOI: 10.1039/C8CP00592C

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