Jump to main content
Jump to site search


A Computational Exploration on CO2 Reduction via CO Dimerization on Mixed-Valence Copper Oxide Surface

Abstract

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

Back to tab navigation

Supplementary files

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, Accepted Manuscript
  •   Request permissions

    A Computational Exploration on CO2 Reduction via CO Dimerization on Mixed-Valence Copper Oxide Surface

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

Search articles by author

Spotlight

Advertisements