Hydrostatic and [001] uniaxial pressure on anatase TiO2 by periodic B3LYP-D* calculations

Journal of Physical Chemistry C

Volumn 117, Issue 14, 2013, Pages 7050-7061

  Albuquerque, Anderson R ^a,b   Maul, Jefferson ^a,b   Longo, Elson ^b   Dos Santos, Iêda M G ^a   Sambrano, Julio R ^b  

^a FEDERAL UNIVERSITY OF PARAÍBA   (Brazil)

^b SÃO PAULO STATE UNIVERSITY UNESP   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

APPLIED PRESSURE; DENSITY OF STATE; DENSITY-OF-STATES ANALYSIS; ELECTRONIC AND STRUCTURAL PROPERTIES; EQUATION OF STATE; PERIODIC CALCULATIONS; UNIAXIAL PRESSURES; VIBRATIONAL PROPERTIES;

DISPERSIONS; ELECTRONIC PROPERTIES; EQUATIONS OF STATE; HYDRAULICS; HYDRODYNAMICS;

TITANIUM DIOXIDE;

EID: 84876258391     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp311572y     Document Type: Article

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