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.
Original language | English |
---|---|
Pages (from-to) | 16906-16909 |
Number of pages | 4 |
Journal | Physical Chemistry Chemical Physics |
Volume | 20 |
Issue number | 25 |
DOIs | |
Publication status | Published - 2018 |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry