A Density Functional Theory Study of Copper-Doped Nickel Oxide Supercells

Crumpton, Galen David ORCID: https://orcid.org/0000-0001-9725-8486 (2023) A Density Functional Theory Study of Copper-Doped Nickel Oxide Supercells. MSc by research thesis, University of York.

Abstract

Metadata

Supervisors: Hasnip, Phil and Lazarov, Vlado
Keywords: density functional theory, DFT, nickel oxide, copper, copper doping, doping, supercells, RSCAN, meta-GGA, spectral, optical, simulation, convex hull, LBFGS, EELS, core-hole EELS, photocathodes
Awarding institution: University of York
Academic Units: The University of York > School of Physics, Engineering and Technology (York)
Depositing User: Mr Galen David Crumpton
Date Deposited: 03 May 2024 14:37
Last Modified: 03 May 2024 14:37
Open Archives Initiative ID (OAI ID):

Download

Examined Thesis (PDF)

Filename: ThesisFinal.pdf

Description: Final version of thesis.

Licence: Creative Commons Licence
This work is licensed under a Creative Commons Attribution NonCommercial NoDerivatives 4.0 International License

Export

Statistics


You do not need to contact us to get a copy of this thesis. Please use the 'Download' link(s) above to get a copy.
You can contact us about this thesis. If you need to make a general enquiry, please see the Contact us page.