Research output per year
Research output per year
Description
The dataset for the paper 'Hole polaron migration in bulk phases of TiO2 using hybrid density functional theory'. Example inputs are provided along with complete results for all calculations presented in the paper.
| Date made available | 2021 |
|---|---|
| Publisher | University of York |
| Date of data production | 2020 - 2021 |
Research output
- 1 Article
-
Hole Polaron Migration in Bulk Phases of TiO2 Using Hybrid Density Functional Theory
Carey, J. J., Quirk, J. A. & McKenna, K. P., 10 Jun 2021, In: Journal of Physical Chemistry C. 125, 22, p. 12441-12450 10 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile
Projects
- 2 Finished
-
High-throughput screening of polycrystalline solar absorbers (Ext.)
McKenna, K. P. (Principal investigator)
1/01/18 → 31/03/21
Project: Research project (funded) › Research
-
Optimisation of charge carrier mobility in nanoporous metal oxide films
McKenna, K. P. (Principal investigator), Chechik, V. (Co-investigator), Douthwaite, R. E. (Co-investigator) & Lazarov, V. (Co-investigator)
1/01/17 → 31/10/20
Project: Research project (funded) › Research