Cargando…
Hole Polaron Migration in Bulk Phases of TiO(2) Using Hybrid Density Functional Theory
[Image: see text] Understanding charge-carrier transport in semiconductors is vital to the improvement of material performance for various applications in optoelectronics and photochemistry. Here, we use hybrid density functional theory to model small hole polaron transport in the anatase, brookite,...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2021
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8279702/ https://www.ncbi.nlm.nih.gov/pubmed/34276864 http://dx.doi.org/10.1021/acs.jpcc.1c03136 |