Sc/C codoping effect on the electronic and optical properties of the TiO2 (101) surface: a first-principles study

Author:

Li Dongxiang12,Li Ruiqin2,Zeng Fanjin12,Wang Shuyi3,Yan Wanjun4,Deng Mingsen35ORCID,Cai Shaohong5

Affiliation:

1. College of Big Data and Information Engineering, Guizhou University, Guiyang 550025, China

2. College of Mathematics and Physics, Anshun University, Anshun 561000, China

3. Guizhou Provincial Key Laboratory of Computational Nano-material Science, Guizhou Education University, Guiyang 550018, China

4. College of Electronic and Information Engineering, Anshun University, Anshun 561000, China

5. School of Information, Guizhou University of Finance and Economics, Guiyang 550025, China

Abstract

The Sc/C-codoped TiO2 (101) surface with 5.56% impurity concentration exhibited optimal photocatalytic performance in the visible region, which may be helpful for designing the high-performance of photocatalysts by doping.

Funder

National Natural Science Foundation of China

Department of Education of Guizhou Province

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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