A computational exploration of CO2 reduction via CO dimerization on mixed-valence copper oxide surface. Issue 25 (26th April 2018)
- Record Type:
- Journal Article
- Title:
- A computational exploration of CO2 reduction via CO dimerization on mixed-valence copper oxide surface. Issue 25 (26th April 2018)
- Main Title:
- A computational exploration of CO2 reduction via CO dimerization on mixed-valence copper oxide surface
- Authors:
- Chang, Chun-Chih
Li, Elise Y.
Tsai, Ming-Kang - Abstract:
- Abstract : The electron-localization function plots of OCCO adsorbed on Ov –CuO(111), Ov –Cu4 O3 (202) and Cu2 O(111) surfaces. 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 Cu4 O3 (202). The material's mixed valency is responsible for stabilizing the charge-separated (OC) δ+ (CO) δ− intermediate.
- Is Part Of:
- Physical chemistry chemical physics. Volume 20:Issue 25(2018)
- Journal:
- Physical chemistry chemical physics
- Issue:
- Volume 20:Issue 25(2018)
- Issue Display:
- Volume 20, Issue 25 (2018)
- Year:
- 2018
- Volume:
- 20
- Issue:
- 25
- Issue Sort Value:
- 2018-0020-0025-0000
- Page Start:
- 16906
- Page End:
- 16909
- Publication Date:
- 2018-04-26
- Subjects:
- Chemistry, Physical and theoretical -- Periodicals
541.3 - Journal URLs:
- http://pubs.rsc.org/en/journals/journalissues/cp#!issueid=cp016040&type=current&issnprint=1463-9076 ↗
http://www.rsc.org/ ↗ - DOI:
- 10.1039/c8cp00592c ↗
- Languages:
- English
- ISSNs:
- 1463-9076
- Deposit Type:
- Legaldeposit
- View Content:
- Available online (eLD content is only available in our Reading Rooms) ↗
- Physical Locations:
- British Library DSC - 6475.306000
British Library DSC - BLDSS-3PM
British Library STI - ELD Digital store - Ingest File:
- 6948.xml