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Volumn 115, Issue 18, 2011, Pages 9220-9226

Interaction of BrPDI, BrGly, and BrAsp with the rutile TiO2(110) surface for photovoltaic and photocatalytic applications: A first-principles study

(4) Cakir D a Gulseren O a Mete, E b Ellialtioglu, S c

a BILKENT UNIVERSITY (Turkey)

b BALIKESIR UNIVERSITY (Turkey)

c MIDDLE EAST TECHNICAL UNIVERSITY (Turkey)

Author keywords

[No Author keywords available]

Indexed keywords

BAND GAPS; BINDING STRENGTH; DEFECT-FREE; DYE COMPOUND; DYE MOLECULE; FIRST-PRINCIPLES STUDY; INTERACTION STRENGTH; PERYLENEDIIMIDES; PHOTOCATALYTIC APPLICATION; PSEUDOPOTENTIAL CALCULATION; PT CLUSTERS; RUTILE TIO; SLAB THICKNESS; STABLE ADSORPTION; THREE-LAYER; TOTAL ENERGY; VACANCY SITES;

ADSORPTION; BINDING ENERGY; BOND STRENGTH (CHEMICAL); CALCULATIONS; DEFECT DENSITY; DEFECTS; DENSITY FUNCTIONAL THEORY; ELECTRON MOBILITY; ELECTRONIC STRUCTURE; MOLECULES; PLATINUM; PLATINUM COMPOUNDS; TITANIUM DIOXIDE;

OXIDE MINERALS;

EID: 79955900453 PISSN: 19327447 EISSN: 19327455 Source Type: Journal
DOI: 10.1021/jp107428t Document Type: Article

Times cited : (8)

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