Strain effect on diffusion properties of oxygen vacancies in bulk and subsurface of rutile TiO 2

Surface Science

Volumn 606, Issue 3-4, 2012, Pages 186-191

  Wang, Zhao Wu ^a   Shu, Da Jun ^a   Wang, Mu ^a   Ming, Nai Ben ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

Density functional calculations; Diffusion; Oxygen vacancy; Strain effect; TiO 2

Indexed keywords

ANISOTROPIC DIFFUSION; ANISOTROPIC STRAIN; DIFFUSION PROPERTIES; EXTERNAL STRAINS; FIRST PRINCIPLE CALCULATIONS; IN-PLANE; RUTILE TIO; STRAIN EFFECT; SUBSURFACE OXYGEN; SURFACE BRIDGING; TIO; TRILAYERS; TWO DIRECTIONS;

ANISOTROPY; DENSITY FUNCTIONAL THEORY; DIFFUSION; DIFFUSION BARRIERS; ENERGY BARRIERS; OXIDE MINERALS; OXYGEN; TENSILE STRAIN; TITANIUM DIOXIDE;

OXYGEN VACANCIES;

EID: 84855449472     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2011.09.014     Document Type: Article

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