Research output per year
Research output per year
Description
CP2O input files, bulk structures and optimised polaron configurations for the paper 'First principles modelling of polaron formation in TiO2 polymorphs'.
| Date made available | 2018 |
|---|---|
| Publisher | University of York |
| Date of data production | 2017 - |
Research output
- 1 Article
-
First-Principles Modeling of Polaron Formation in TiO2 Polymorphs
Elmaslmane, A. R., Watkins, M. B. & McKenna, K. P., 10 Jul 2018, In: Journal of chemical theory and computation. 14, 7, p. 3740-3751 12 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile
Projects
- 3 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
-
Non-equilibrium electron-ion dynamics in thin metal-oxide
McKenna, K. P. (Principal investigator)
1/01/13 → 30/04/18
Project: Research project (funded) › Research