1. bookVolume 32 (2014): Issue 1 (January 2014)
Journal Details
License
Format
Journal
eISSN
2083-134X
ISSN
2083-1331
First Published
16 Apr 2011
Publication timeframe
4 times per year
Languages
English
access type Open Access

Electronic structures of Hg-doped anatase TiO2 with different O vacancy concentrations

Published Online: 26 Mar 2014
Volume & Issue: Volume 32 (2014) - Issue 1 (January 2014)
Page range: 93 - 97
Journal Details
License
Format
Journal
eISSN
2083-134X
ISSN
2083-1331
First Published
16 Apr 2011
Publication timeframe
4 times per year
Languages
English
Abstract

The electronic structures of Hg-doped anatase TiO2 with different O vacancy concentrations were calculated using the first-principles based on the density functional theory. The calculated results show that the forbidden band widths of Hgdoped anatase TiO2 widened along with the increase of O vacancy concentration, which is responsible for the blue shift in the absorption edges. It can be deduced from the present study that the Hg-doped TiO2 samples prepared in the experimental research contain a certain quantity of O vacancies.

Keywords

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