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Proceedings Paper

Study on optoelectronic properties of (sulfur, transition metal) co-doped TiO2 using first principle calculation
Author(s): Shermin Arab; Roger K. Lake
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Paper 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.

Paper Details

Date Published: 5 October 2012
PDF: 7 pages
Proc. SPIE 8469, Solar Hydrogen and Nanotechnology VII, 84690X (5 October 2012); doi: 10.1117/12.930073
Show Author Affiliations
Shermin Arab, Lab for Terascale and Terahertz Electronics (United States)
Roger K. Lake, Lab for Terascale and Terahertz Electronics (United States)

Published in SPIE Proceedings Vol. 8469:
Solar Hydrogen and Nanotechnology VII
Lionel Vayssieres, Editor(s)

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