Unveiling the Electronic Structure of Grain Boundaries in Anatase with Electron Microscopy and First-Principles Modelling

Keith Patrick McKenna (Supervisor)
James Quirk (Creator)

Physics

Dataset

Description

Inputs and structures for DFT calculations opt anatase grain boundaries

Date made available	2021
Publisher	University of York
Date of data production	2020 - 2021

Contact

lib-open-research@york.ac.uk

DOI
10.15124/af2d144a-8b00-4808-85a0-0cef636098cc

Access Dataset

database.zip
File: application/zip, 720 KB
Type: Dataset
Licence: CC BY

1 Article

Unveiling the Electronic Structure of Grain Boundaries in Anatase with Electron Microscopy and First-Principles Modeling
Quirk, J. A., Miao, B., Feng, B., Kim, G., Ohta, H., Ikuhara, Y. & McKenna, K. P., 10 Nov 2021, In: Nano Letters. 21, 21, p. 9217-9223 7 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File

4 Finished

UKRI CoA Extension to R1788002 Optimisation of charge carrier mobility in nanoporous metal oxide films
Douthwaite, R. E., Chechik, V., Lazarov, V. & McKenna, K. P.
EPSRC
1/11/20 → 28/02/21
Project: Research project (funded) › Research
High-throughput screening of polycrystalline solar absorbers (Ext.)
McKenna, K. P.
EPSRC
1/01/18 → 31/03/21
Project: Research project (funded) › Research
Optimisation of charge carrier mobility in nanoporous metal oxide films
McKenna, K. P., Chechik, V., Douthwaite, R. E. & Lazarov, V.
EPSRC
1/01/17 → 31/10/20
Project: Research project (funded) › Research

Cite this