Effect of concentration of heavy oxygen vacancy in rutile and anatase (TiO2) on electric conductivity performance studied by simulation and calculation

Wuli Xuebao/Acta Physica Sinica

Volumn 62, Issue 23, 2013, Pages

  Hou, Qing Yu ^a   Wu, Yun ^b   Zhao, Chun Wang ^a  

^a INNER MONGOLIA UNIVERSITY OF TECHNOLOGY   (China)

^b Inner Mongolia Vocational College of Chemistry Engineering   (China)

Author keywords

Conductivity; First principles; Heavy oxygen vacancy; Rutile and anatase TiO2

Indexed keywords

DENSITY OF STATE; FIRST-PRINCIPLES; GEOMETRY OPTIMIZATION; PLANE WAVE; RUTILE AND ANATASE; SIMULATION AND CALCULATIONS; SUPERCELL MODEL; ULTRASOFT PSEUDOPOTENTIALS;

CALCULATIONS; ELECTRIC CONDUCTIVITY; OXIDE MINERALS; OXYGEN VACANCIES;

TITANIUM DIOXIDE;

EID: 84889853416     PISSN: 10003290     EISSN: None     Source Type: Journal    
DOI: 10.7498/aps.62.237101     Document Type: Article

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