Theoretical study of the stoichiometric and reduced Ce-doped TiO2 anatase (001) surfaces

Journal of Physical Chemistry C

Volumn 119, Issue 9, 2015, Pages 4805-4816

  Albuquerque, Anderson R ^a,b,c   Bruix, Albert ^c   Sambrano, Julio R ^b   Illas, Francesc ^c  

^a Instituto Federal de Educação Ciência e Tecnologia do Sertão Pernambucano   (Brazil)

^b SÃO PAULO STATE UNIVERSITY UNESP   (Brazil)

^c UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; OXIDE MINERALS; OXYGEN; OXYGEN VACANCIES; TITANIUM DIOXIDE;

DOPANT MIGRATION; FORMATION ENERGIES; LOCALIZED SOLUTIONS; PERIODIC DENSITY; SUBSURFACE LAYER; THEORETICAL STUDY; TI SUBSTITUTIONS; VACANCY FORMATION;

CERIUM;

EID: 84924088476     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp5105483     Document Type: Article

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