Subsurface oxide plays a critical role in CO 2 activation by Cu(111) surfaces to form chemisorbed CO 2 , the first step in reduction of CO 2

作者：Marco Favaro, Hai Yan Xiao, Tao Cheng, William A. Goddard, Junko Yano, Ethan J. Crumlin · 发表于：Proceedings of the National Academy of Sciences · 年份：2017 · DOI：10.1073/pnas.1701405114 · 被引用次数：505 · 研究领域：CO2 Reduction Techniques and Catalysts、Catalytic Processes in Materials Science、Advanced Photocatalysis Techniques

Significance Combining ambient pressure X-ray photoelectron spectroscopy experiments and quantum mechanical density functional theory calculations, this work reveals the essential first step for activating CO 2 on a Cu surface, in particular, highlighting the importance of copper suboxide and the critical role of water. These findings provide the quintessential information needed to guide the future design of improved catalysts.