Study on the Adsorption and Activation Behaviours of Carbon Dioxide over Copper Cluster (Cu4) and Alumina-Supported Copper Catalyst (Cu4/Al2O3) by means of Density Functional Theory

Study on the Adsorption and Activation Behaviours of Carbon Dioxide over Copper Cluster (Cu4) and Alumina-Supported Copper Catalyst (Cu4/Al2O3) by means of Density Functional Theory

The adsorption and activation of carbon dioxide over copper cluster (Cu4) and copper doped on the alumina support (Cu4/Al2O3) catalytic systems have been investigated by using density functional theory and climbing image nudged elastic band. The adsorption energies, geometrical configurations, and e...

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Bibliographic Details
Main Authors: Nguyen Thi Thu Ha, Van Thi Minh Hue, Bui Cong Trinh, Nguyen Ngoc Ha, Le Minh Cam
Format: Article
Language:English
Published: Wiley 2019-01-01
Series:Journal of Chemistry
Online Access:http://dx.doi.org/10.1155/2019/4341056
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