Investigating Polaron Formation in Anatase and Brookite TiO2 by Density Functional Theory with Hybrid-Functional and DFT + U Methods
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2019-05-01
|
| Series: | ACS Omega |
| Online Access: | http://dx.doi.org/10.1021/acsomega.9b00443 |