Study on optoelectronic properties of (sulfur, transition metal) co-doped TiO2 using first principle calculation

Shermin Arab; Roger K. Lake

doi:10.1117/12.930073

5 October 2012 Study on optoelectronic properties of (sulfur, transition metal) co-doped TiO₂ using first principle calculation

Shermin Arab, Roger K. Lake

Author Affiliations +

Proceedings Volume 8469, Solar Hydrogen and Nanotechnology VII; 84690X (2012) https://doi.org/10.1117/12.930073
Event: SPIE Solar Energy + Technology, 2012, San Diego, California, United States

Abstract

In this paper, we present the effect of (S-M) (M= transition metal) co-doping on the electronic structure of TiO2. Density functional theory (DFT) is used to study the optoelectronic properties and bandgap energy of anatase TiO2 under codoping of sulfur and transition metal. Substitution of titanium atoms with transition metal and oxygen atoms with sulfur shows band gap reduction and formation of continues band structure which avoids trapping of photo generated electrons and holes. The effects of dopant positions and concentrations are studied here and bandgap reduction is observed.

Citation Download Citation

Shermin Arab and Roger K. Lake "Study on optoelectronic properties of (sulfur, transition metal) co-doped TiO₂ using first principle calculation", Proc. SPIE 8469, Solar Hydrogen and Nanotechnology VII, 84690X (5 October 2012); https://doi.org/10.1117/12.930073

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