Ping Wang, Tianbao Zhang, Zhenxing Li*
Chin. J. Struct. Chem., 2024, 43: 100328. DOI: 10.1016/j.cjsc.2024.100328
August 15, 2024
ABSTRACT
In summary,
dissolution-redeposition is the way of Cu surface reconstruction, and Cu+ species are the main intermediates driving this process. And the adsorption of
molecules on the surface of Cu, forming copper adsorbate complexes, is the key
to promoting the dissolution of Cu+. Among them, the formation of
[CuCO]+ complex is the most favorable, which is independent on the
exposed surface crystal plane structure of Cu. This work confirms the transient
dissolution of Cu+ through clever experimental design, and provides
theoretical guidance for future catalyst design in maintaining selectivity and
activity.