Literature DB >> 29697723

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

Chun-Chih Chang1, Elise Y Li, Ming-Kang Tsai.   

Abstract

The catalytic role of Cu ions in CO2 reduction on oxide-derived Cu has been elusive. In the presence of oxygen vacancy, COCO 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.

Entities:  

Year:  2018        PMID： 29697723     DOI： 10.1039/c8cp00592c

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN： 1463-9076            Impact factor:   3.676


  2 in total

1.  Operando time-resolved X-ray absorption spectroscopy reveals the chemical nature enabling highly selective CO2 reduction.

Authors:  Sheng-Chih Lin; Chun-Chih Chang; Shih-Yun Chiu; Hsiao-Tien Pai; Tzu-Yu Liao; Chia-Shuo Hsu; Wei-Hung Chiang; Ming-Kang Tsai; Hao Ming Chen
Journal:  Nat Commun       Date:  2020-07-14       Impact factor: 14.919

2.  Understanding the role of Cu+/Cu0 sites at Cu2O based catalysts in ethanol production from CO2 electroreduction -A DFT study.

Authors:  Liren Sun; Jinyu Han; Qingfeng Ge; Xinli Zhu; Hua Wang
Journal:  RSC Adv       Date:  2022-07-04       Impact factor: 4.036
  2 in total

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