Adsorption of CO2 on Cu2O (1 1 1) oxygen-vacancy surface: First-principles study

Chemical Physics Letters

Volumn 568-569, Issue , 2013, Pages 84-89

  Wu, Huanwen ^a   Zhang, Ning ^a   Wang, Hongming ^a   Hong, Sanguo ^a  

^a NANCHANG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; ADSORPTION ENERGIES; DENSITY FUNCTIONAL THEORIES (DFT); DISSOCIATIVE ADSORPTION; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; PROJECTED DENSITY OF STATE; RADICAL ANIONS;

ADSORPTION; CALCULATIONS; DENSITY FUNCTIONAL THEORY; OXYGEN; OXYGEN VACANCIES;

CARBON DIOXIDE;

EID: 84876407068     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2013.03.032     Document Type: Article

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