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Descriptors for Electron and Hole Charge Carriers in Metal Oxides: Calculations Dataset

DOI: https://doi.org/10.5281/zenodo.3516226
Title: Descriptors for Electron and Hole Charge Carriers in Metal Oxides: Calculations Dataset
Authors: Davies, DW
Savory, CN
Frost, J
Scanlon, DO
Morgan, BM
Walsh, A
Item Type: Dataset
Abstract: Calculation dataset required in order to carry out the full analysis in This repository. Outputs from hybrid Density Functional Theory calculations using the Vienna Ab-initio Simulation Package (VASP) are provided. See the main repository for details on analysis steps.
Calculation dataset required in order to carry out the full analysis in This repository. Outputs from hybrid Density Functional Theory calculations using the Vienna Ab-initio Simulation Package (VASP) are provided. See the main repository for details on analysis steps.
Content Version: 1
Issue Date: 22-Oct-2019
URI: http://hdl.handle.net/10044/1/76356
DOI: https://doi.org/10.5281/zenodo.3516226
Copyright Statement: http://creativecommons.org/licenses/by/4.0/legalcode
Keywords: Descriptors
Electron
Hole Charge Carriers
Metal Oxides
Appears in Collections:Faculty of Natural Sciences - Research Data