The Electronic Structures and Optical Properties in Nitrogen-Doped SnO2

DOI

10.2991/icmse-16.2016.92How to use a DOI?

Keywords

Electronic structure; First-principles calculation

Abstract

We perform first-principles calculations to study the electronic structures and optical properties of rutile SnNxO2-x as a possible photocatalytic material. It is found that N incorporation lead to the enhancement of p states in the energy gap and the decrease of band gap. The optical transition between N p and O p enhances and shifts to high energy range with increasing N concentrations. The calculations for the optical properties also predict a possible optimum N-doping level in SnO2 with a high visible photoresponse and as a photocatalytic material.

Copyright

© 2016, the Authors. Published by Atlantis Press.

Open Access

This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).

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TY  - CONF
AU  - Dan-Xu Xing
AU  - Pei-Ji Wang
AU  - Chang-Wen Zhang
PY  - 2016/12
DA  - 2016/12
TI  - The Electronic Structures and Optical Properties in Nitrogen-Doped SnO2
BT  - Proceedings of the 4th 2016 International Conference on Material Science and Engineering (ICMSE 2016)
PB  - Atlantis Press
SP  - 554
EP  - 559
SN  - 2352-5401
UR  - https://doi.org/10.2991/icmse-16.2016.92
DO  - 10.2991/icmse-16.2016.92
ID  - Xing2016/12
ER  -