First-Principles Modelling of Oxygen-Deficient Anatase TiO2 Nanoparticles

James Quirk (Creator)
Keith Patrick McKenna (Supervisor)

Physics

Dataset

Description

Input and output files relating to density functional theory calculations of oxygen-deficient anatase TiO2 nanoparticles

Date made available	2020
Publisher	University of York
Date of data production	2019 - 2020

Contact

[email protected]

DOI
10.15124/971aeb5a-44d6-408c-b091-a5040ff18286

Access Dataset

DropOff_f7kAit3jqvujEqse.zip
File: multipart/x-zip, 196 KB
Type: Dataset
Licence: CC BY

1 Article

First-Principles Modeling of Oxygen-Deficient Anatase TiO₂Nanoparticles
Quirk, J. A., Lazarov, V. K. & Mckenna, K. P., 14 Oct 2020, In: Journal of Physical Chemistry C. 124, 43, p. 23637–23647 11 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File

2 Finished

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