Density functional theory study of CO catalytic oxidation on Co 2B2/TiO2 (110) surface

Journal of Natural Gas Chemistry

Volumn 19, Issue 3, 2010, Pages 300-306

  Zeng, Qingsong ^a   Chen, Wenkai ^a   Zhang, Yongfan ^a   Dai, Wenxin ^a   Guo, Xin ^b  

^a FUZHOU UNIVERSITY   (China)

^b HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

CO; Co B alloy; Density functional theory

Indexed keywords

ADSORPTION; AMORPHOUS ALLOYS; CARBON; CARBON DIOXIDE; CATALYST ACTIVITY; CATALYTIC OXIDATION; COBALT; COBALT COMPOUNDS; QUANTUM CHEMISTRY; TITANIUM ALLOYS; TITANIUM DIOXIDE;

ADSORPTION ENERGIES; CO CATALYTIC OXIDATION; CO-B ALLOY; CO-B AMORPHOUS ALLOY; DENSITY FUNCTIONAL THEORY STUDIES; GEOMETRY OPTIMIZATION; OXIDATION OF CO; QUANTUM CHEMICAL STUDIES;

DENSITY FUNCTIONAL THEORY;

EID: 77953351405     PISSN: 10039953     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1003-9953(09)60058-X     Document Type: Article

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