Band gap engineering by anion doping in the photocatalyst BiTaO4: First principle calculations

Authors :: Jawad Nisar
Tae Won Kang
Carlos Moyses Araujo
Antonio Ferreira da Silva
Baochang Wang
Rajeev Ahuja
Source :: International Journal of Hydrogen Energy. 37:3014-3018
Publication Year :: 2012
Publisher :: Elsevier BV, 2012.
Abstract: We have shown the effect of mono and co-doping of non-metallic anion atoms on the electronic structure in BiTaO4 using the first-principles method. It can improve the photocatalytic efficiency for ...

Subjects :: Fuel Technology
Materials science
Renewable Energy, Sustainability and the Environment
Inorganic chemistry
Doping
Photocatalysis
Band-gap engineering
Energy Engineering and Power Technology
First principle
Electronic structure
Condensed Matter Physics
Photochemistry
Ion

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