A DFT study on the interaction of Co with an anatase TiO2 (001)-(1×4) surface

Journal of Natural Gas Chemistry

Volumn 18, Issue 1, 2009, Pages 78-82

  Zuo, Zhijun ^a   Huang, Wei ^a   Han, Peide ^a   Li, Zhihong ^a   Huang, Jian ^a  

^a TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

anatase (001) (1 4); Co; DFT

Indexed keywords

ANATASE TIO; CO; DEGREE OF HYBRIDIZATIONS; DENSITY APPROXIMATIONS; DENSITY OF STATE; DFT; DFT STUDIES; ENERGY SURFACES; SUBSTITUTION MODELS; THEORETICAL CALCULATIONS;

PROBABILITY DENSITY FUNCTION; TITANIUM DIOXIDE; TITANIUM OXIDES;

DENSITY FUNCTIONAL THEORY;

EID: 64149130295     PISSN: 10039953     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1003-9953(08)60086-9     Document Type: Article

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