C/B codoping effect on band gap narrowing and optical performance of TiO2 photocatalyst: a spin-polarized DFT study
Abstract
The electronic and optical properties of several possible C/B-codoped models of anatase and
* Corresponding authors
a
Institute of Modern Physics, Northwest University, Xi'an 710069, P. R. China
E-mail:
jiangzy@nwu.edu.cn, linymnwu@gmail.com
Fax: +86-29-88302331
Tel: +86-29-88303491
b Department of Applied Chemistry, Institute of Molecular Science and Center for Interdisciplinary Molecular Science, National Chiao-Tung University, Hsinchu 30050, Taiwan
c Department of Physics, Northwest University, Xi'an 710069, P. R. China
d School of Chemical Engineering, Northwest University, Xi'an 710069, P. R. China
e Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 106, Taiwan
The electronic and optical properties of several possible C/B-codoped models of anatase and
Y. Lin, Z. Jiang, C. Zhu, X. Hu, X. Zhang, H. Zhu, J. Fan and S. H. Lin, J. Mater. Chem. A, 2013, 1, 4516 DOI: 10.1039/C3TA01298K
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