First-principles study of s doping at the rutile TiO2 (110) surface

Journal of Physical Chemistry C

Volumn 113, Issue 40, 2009, Pages 17464-17470

  Long, Run ^a   English, Niall J ^a   Dai, Ying ^b  

^a UNIVERSITY COLLEGE DUBLIN   (Ireland)

^b SHANDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; ANION DOPING; CATION DOPING; EXPERIMENTAL STUDIES; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FIRST-PRINCIPLES STUDY; OPTICAL ABSORPTION EDGE; PHOTON TRANSITION; RED SHIFT; RUTILE TIO; SMALL REDUCTION; TI ATOMS; VISIBLE LIGHT ABSORPTION;

ABSORPTION; ADSORPTION; ATOMS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; LIGHT ABSORPTION; OXIDE MINERALS; OXYGEN; OXYGEN VACANCIES; SOLID STATE PHYSICS; TITANIUM OXIDES;

DOPING (ADDITIVES);

EID: 70350023317     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp904775g     Document Type: Article

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