Density functional theory study of NO2-sensing mechanisms of pure and Ti-doped WO3 (002) surfaces

Chinese Physics B

Volumn 20, Issue 10, 2011, Pages

  Hu, Ming ^a   Wang, Wei Dan ^a   Zeng, Jing ^a   Qin, Yu Xiang ^a  

^a TIANJIN UNIVERSITY   (China)

Author keywords

adsorption; density functional theory; NO2 sensing; Ti doping

Indexed keywords

ADSORPTION ENERGIES; ADSORPTION MODEL; ADSORPTION STRUCTURES; BRIDGING OXYGEN; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY FUNCTIONALS; DOPING STRUCTURES; EXPERIMENTAL OBSERVATION; SENSING MECHANISM; SUBSTITUTION MODELS; TI DOPING;

ADSORPTION; C (PROGRAMMING LANGUAGE); NITROGEN OXIDES; OXYGEN; SURFACE PROPERTIES;

DENSITY FUNCTIONAL THEORY;

EID: 80053945404     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/20/10/102101     Document Type: Article

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