High coverage water adsorption on CuO(011) surface-MedSci.cn

High coverage water adsorption on CuO(011) surface

Yu, XH; Zhang, XM

Yu, XH (reprint author), Shaanxi Univ Technol, Inst Theoret & Computat Chem, Sch Chem & Environm Sci, Shaanxi Key Lab Catalysis, Hanzhong 723000, Peoples R China.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017; 19 (28): 18652

Abstract

Spin-polarized density functional theory calculations (GGA+U) and atomic thermodynamics have been used to study the adsorption of water on the CuO(011......

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