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A Theoretical Study on the Adsorption of CO2 on CuO(110) Surface

Author:
Moreno, Joaquin Lorenzo Valmoria  Arevalo, Ryan Lacdao  Escano, Mary Clare Sison  Padama, Allan Abraham Bustria  Kasai, Hideaki  


Journal:
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN


Issue Date:
2015


Abstract(summary):

The adsorption of CO2 on CuO(110) was investigated using density functional theory calculations. The CO2 molecule adsorbs on top of an unsaturated Cu atom with a titled configuration. The low adsorption energy and minimal charge transfer confirm the physisorption character of the adsorption process. Unlike pure copper, the more reactive behavior towards CO2 of copper oxides makes them useful for applications such as the photocatalytic reduction of CO2.


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