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

Chun Chih Chang, Elise Y. Li, Ming Kang Tsai

研究成果: 雜誌貢獻期刊論文同行評審

10 引文 斯高帕斯(Scopus)

摘要

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.

原文英語
頁(從 - 到)16906-16909
頁數4
期刊Physical Chemistry Chemical Physics
20
發行號25
DOIs
出版狀態已發佈 - 2018

ASJC Scopus subject areas

  • 物理與天文學 (全部)
  • 物理與理論化學

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