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Computational Materials Science

Volumn 111, Issue , 2016, Pages 513-524

Synergetic interplay between metal (Pt) and nonmetal (C) species in codoped TiO2: A DFT+U study

(2) Morgade, Cecilia I N a,b Cabeza, Gabriela F a

a UNIVERSIDAD NACIONAL DEL SUR (Argentina)

b UNIVERSIDAD TECNOLÓGICA NACIONAL (Argentina)

Author keywords

C Pt codoping; Density functional theory; Electronic structure; TiO2

Indexed keywords

DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; PLATINUM; PLATINUM ALLOYS; REDOX REACTIONS; TITANIUM DIOXIDE;

BAND GAP NARROWING; CO-DOPING; COMPLEX STRUCTURE; FIRST PRINCIPLE CALCULATIONS; MAGNETIC AND ELECTRONIC PROPERTIES; PHOTOEXCITED ELECTRON-HOLE PAIRS; TIO; UV-VISIBLE DIFFUSE REFLECTANCE SPECTROSCOPY;

PLATINUM METALS;

EID: 84944755173 PISSN: 09270256 EISSN: None Source Type: Journal
DOI: 10.1016/j.commatsci.2015.09.065 Document Type: Article

Times cited : (19)

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