Band gap engineering of early transition-metal-doped anatase TiO2: first principles calculations
Author:
Affiliation:
1. Center for Coordination Bond Engineering
2. School of Materials Science and Engineering
3. China Jiliang University
4. China
5. College of Electrical Engineering
6. Zhejiang University
7. School of Electrical and Electronic Engineering
Abstract
Doping with early transition metals leads to the rising of the energy level of the valence band center by about 0.2 eV and declining of the energy level of the conductor band center by about 0.8 eV.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP03587A
Reference54 articles.
1. Efficient Photochemical Water Splitting by a Chemically Modified n-TiO 2
2. Increasing Solar Absorption for Photocatalysis with Black Hydrogenated Titanium Dioxide Nanocrystals
3. Photocatalytic Reduction of CO2on TiO2and Other Semiconductors
4. Nb doped TiO2 nanotubes for enhanced photoelectrochemical water-splitting
5. Electronic Structure of Pure and N-Doped TiO2 Nanocrystals by Electrochemical Experiments and First Principles Calculations
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