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Adsorption and Diffusion of CO on Clean and CO2-Precovered ZnO(101̅0) C

Author:
Shi, Hong, Yuan, Hao, Ruan, Shiqi, Wang, Wenyuan, Li, Zhe, Li, Zhenyu, Shao, Xiang
Source:
Journal of physical chemistry 2018 v.122 no.16 pp. 8919-8924
ISSN:
1932-7455
Subject:
adsorption, carbon dioxide, carbon monoxide, catalytic activity, density functional theory, ions, nitrogen, scanning tunneling microscopy, temperature, zinc, zinc oxide
Abstract:
The interaction of CO on the clean and a CO₂-precovered ZnO(101̅0) surface has been investigated with low-temperature scanning tunneling microscopy in combination with density-functional theory calculations. On the clean surface, CO binds weakly to the surface Zn ions and diffuses readily along the [12̅10] direction even at liquid nitrogen temperature. In contrast, the presence of CO₂ significantly enhances the binding strength of the CO molecules in the vicinity and in turn suppresses their diffusion. These findings are believed to provide new insights of the atomistic interactions of distinct reagents on the ZnO surface, and hence shed light onto the roles of ZnO in the syngas-involved catalytic reactions.
Agid:
6061054