Electronic structure and redox properties of the ti-doped zirconia (111) surface

Journal of Physical Chemistry C

Volumn 114, Issue 36, 2010, Pages 15403-15409

  Chauke, Hasani R ^a   Murovhi, Phathutshedzo ^a   Ngoepe, Phuti E ^a   De Leeuw, Nora H ^b   Grau Crespo, Ricardo ^b  

^a UNIVERSITY OF LIMPOPO   (South Africa)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY CALCULATIONS; DOPED ZIRCONIA; FORMATION ENERGIES; HUBBARD; OXIDATION STATE; OXIDE SURFACE; REDOX PROPERTY; SPIN CONFIGURATIONS; STABLE CONFIGURATION; TI ATOMS; TITANIUM DOPANTS; VACANCY FORMATION ENERGIES;

DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; OXYGEN; TITANIUM; TITANIUM OXIDES; VACANCIES; ZIRCONIA;

OXYGEN VACANCIES;

EID: 77956539983     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp103181q     Document Type: Article

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