Detailing ionosorption over TiO 2, ZrO 2, and HfO 2 from first principles

Journal of Physical Chemistry C

Volumn 116, Issue 31, 2012, Pages 16573-16581

  Garcia, Juan C ^a   Deskins, N Aaron ^a  

^a Worcester Polytechnic Institute   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBATE CHARGES; ADSORPTION ENERGIES; ADSORPTION PROCESS; CATALYTIC SURFACES; CHARGED ANIONS; ELECTRON SCAVENGERS; ELECTRON TRANSFER; FUNCTION VALUES; GAS SENSING; IONIC ADSORPTION; IONIC CHARACTER; METAL OXIDE MATERIALS; METAL OXIDE SURFACES; METAL OXIDES; OVER-STOICHIOMETRIC; OXIDE LATTICES; OXYGEN MOLECULE; SMALL MOLECULES; SURFACE CATIONS; SURFACE REDUCTION; TETRAGONAL HFO; TIO; UNPAIRED ELECTRONS; VACANCY FORMATION ENERGIES;

ADSORBATES; ADSORPTION; CHARGE TRANSFER; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSITIONS; ELECTRONEGATIVITY; GAS DETECTORS; GAS SENSING ELECTRODES; HAFNIUM OXIDES; LEAD OXIDE; METALLIC COMPOUNDS; MOLECULES; SURFACE CHEMISTRY; SURFACE DEFECTS; SURFACE REACTIONS; TITANIUM DIOXIDE; WORK FUNCTION; ZIRCONIUM ALLOYS;

SURFACES;

EID: 84865007079     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp3043285     Document Type: Article

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