The nature of interfaces and charge trapping sites in photocatalytic mixed-phase TiO2 from first principles modeling

Journal of Chemical Physics

Volumn 142, Issue 2, 2015, Pages

  Garcia, Juan C ^a   Nolan, Michael ^b   Aaron Deskins, N ^a  

^a Worcester Polytechnic Institute   (United States)

^b UNIVERSITY COLLEGE CORK   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ELECTRONS; HETEROJUNCTIONS; INTERFACES (MATERIALS); OXIDE MINERALS; TITANIUM DIOXIDE;

ELECTRON HOLE PAIRS; FIRST PRINCIPLES MODELS; INTERFACIAL REGION; LOCALIZED ELECTRONS; PHOTOCATALYST MATERIALS; RATE OF RECOMBINATION; REDUCTION REACTION; VALENCE BAND OFFSETS;

PHASE INTERFACES;

EID: 84923862594     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4905122     Document Type: Article

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