Ab-initio study of fluorine-doped tin dioxide: A prospective catalyst support for water electrolysis

Physica B: Condensed Matter

Volumn 406, Issue 3, 2011, Pages 471-477

  Velikokhatnyi, Oleg I ^a   Kumta, Prashant N ^a  

^a University of Pittsburgh   (United States)

Author keywords

Catalyst support; Density functional theory; Doping; Electronic structure; Fluorine doped tin dioxide

Indexed keywords

AB INITIO; COHESIVE ENERGIES; DENSITY FUNCTIONALS; DENSITY OF ELECTRONIC STATE; DOPED MATERIALS; DOPING; ELECTRONIC CONDUCTIVITY; EXCHANGE-CORRELATION CORRECTION; EXPERIMENTAL OBSERVATION; EXPERIMENTAL VALIDATIONS; FLUORINE CONCENTRATIONS; FLUORINE DOPED TIN DIOXIDE; FLUORINE DOPED TIN OXIDE; FLUORINE-DOPED; GENERAL GRADIENT APPROXIMATION; MATRIX; PROJECTOR-AUGMENTED WAVES; VIENNA AB-INITIO SIMULATION PACKAGES; WATER ELECTROLYSIS;

DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELECTROCHEMISTRY; ELECTROLYSIS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FLUORINE; HYDROGEN; NANOCOMPOSITES; OXYGEN; TIN; TIN DIOXIDE; TIN OXIDES;

CATALYST SUPPORTS;

EID: 78650810631     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.11.015     Document Type: Article

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