Calculation of TiO2 Surface and Subsurface Oxygen Vacancy by the Screened Exchange Functional

Journal of Physical Chemistry C

Volumn 119, Issue 32, 2015, Pages 18160-18166

  Li, Hongfei ^a   Guo, Yuzheng ^a   Robertson, John ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

DEFECT DENSITY; DENSITY FUNCTIONAL THEORY; OXIDE MINERALS; TITANIUM DIOXIDE; VACANCIES;

ANATASE SURFACES; CONDUCTION BAND EDGE; DEFECT LOCALIZATIONS; FORMATION ENERGIES; HYBRID FUNCTIONAL; SCREENED EXCHANGES; SUBSURFACE OXYGEN; SUBSURFACE SITES;

OXYGEN VACANCIES;

EID: 84939145986     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b02430     Document Type: Article

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