Department of Chemistry, National Taiwan Normal University, Taipei 11677, Taiwan.
Phys Chem Chem Phys. 2018 Jun 27;20(25):16906-16909. doi: 10.1039/c8cp00592c.
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.
Cu 离子在氧化物衍生的 Cu 上促进 CO2 还原的催化作用一直难以捉摸。在氧空位存在的情况下，预测 COCO 二聚体在 Cu4O3(202)上的热力学是有利的，并且具有可接近的势垒。该材料的混合价态负责稳定电荷分离（OC）δ+（CO）δ-中间产物。
