First principles study of oxygen adsorption on the anatase TiO2 (101) surface

Physica E: Low-Dimensional Systems and Nanostructures

Volumn 67, Issue , 2015, Pages 59-64

  Zeng, Wen ^a   Liu, Tianmo ^a   Li, Tianming ^a   Xie, Bijun ^a  

^a CHONGQING UNIVERSITY   (China)

Author keywords

(101) Surface; Anatase TiO2; First principles; Oxygen adsorption

Indexed keywords

CALCULATIONS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; GAS ADSORPTION; OXYGEN; TITANIUM DIOXIDE;

ADSORPTION MECHANISM; ADSORPTION PERFORMANCE; ANATASE TIO; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; OXYGEN ADSORPTION; SIMULATION MECHANISMS;

OXYGEN VACANCIES;

EID: 84913546565     PISSN: 13869477     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physe.2014.10.041     Document Type: Article

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