Strong and weak adsorption of CO 2 on PuO 2 (1 1 0) surfaces from first principles calculations

H L Yu,X D Deng,Gang Li,X C Lai,D Q Meng

Applied Surface Science（2014）

引用 25|浏览7

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摘要

•The CO2 adsorption on PuO2 (110) surface was studied by GGA+U.•Both weak and strong adsorptions exist between CO2 and the PuO2 (110) surface.•Electrostatic interactions were involved in the weak interactions.•Covalent bonding was developed in the strong adsorptions.

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关键词

PuO2 (110) surface,CO2,Physisorption,Chemisorption,First principles study

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