DFT study for combined influence of C-doping and external electric field on electronic structure and optical properties of TiO2 (001) surface
The electron structure and optical properties of C-TiO2 (001) surface under external electric field were studied by DFT method. After carbon doping, a new impurity level is introduced in the bandgap region of TiO2 (001) surface, and leads to the decrease of band gap, contributing to the shift of opt...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2018-09-01
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| Series: | Journal of Materiomics |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352847818300121 |