Research output per year
Research output per year
Description
This repository contains data analysis that supports the findings reported in C. O’Rourke and B. J. Morgan, “Interfacial Strain Effects on Lithium Diffusion Pathways in the Spinel Solid Electrolyte Li-Doped MgAl2O4”, and code for plotting figures in this paper.
The repository consists of
- A series of .csv files, containing data extracted from VASP calculations. The inputs and outputs for the source VASP calculations, along with scripts for extracting the relevant data, are available at the University of Bath Data Archive (https://doi.org/10.15125/BATH-00438).
- A Jupyter notebook that constructs the figures in the manuscript from the .csv data.
The repository consists of
- A series of .csv files, containing data extracted from VASP calculations. The inputs and outputs for the source VASP calculations, along with scripts for extracting the relevant data, are available at the University of Bath Data Archive (https://doi.org/10.15125/BATH-00438).
- A Jupyter notebook that constructs the figures in the manuscript from the .csv data.
| Date made available | 1 Dec 2017 |
|---|---|
| Publisher | Zenodo |
Research output
- 1 Article
-
Interfacial Strain Effects on Lithium Diffusion Pathways in the Spinel Solid Electrolyte Li-Doped MgAl2O4
O'Rourke, C. & Morgan, B., 17 Apr 2018, In: Physical Review Materials. 2, 4, p. 1-13 13 p., 045403.Research output: Contribution to journal › Article › peer-review
Open Access15 Citations (SciVal)25 Downloads (Pure)
Projects
- 3 Finished
-
Simulation of Lattice-Matched Interfaces for Li-ion Batteries
Morgan, B. (PI)
Engineering and Physical Sciences Research Council
1/10/15 → 30/09/18
Project: Research council
-
Dr B Morgan URF - Modelling Collective Lithium-Ion Dynamics in Battery Materials
Morgan, B. (PI)
1/10/14 → 30/09/19
Project: Research council
-
Materials Chemistry High End Computing Consortium
Islam, S. (PI)
1/11/13 → 31/10/18
Project: Research council
Datasets
-
Data Analysis for "Interfacial Strain Effects on Lithium Diffusion Pathways in the Spinel Solid Electrolyte Li-Doped MgAl2O4"
O'Rourke, C. (Creator) & Morgan, B. (Creator), Zenodo, 1 Dec 2017
DOI: 10.5281/zenodo.1069417, https://github.com/bjmorgan/data_NEB_spinel
Dataset
-
DFT Dataset for "Interfacial Strain Effects on Lithium Diffusion Pathways in the Spinel Solid Electrolyte Li-Doped MgAl2O4"
O'Rourke, C. (Creator) & Morgan, B. (Creator), University of Bath, 8 Mar 2018
DOI: 10.15125/BATH-00438, https://doi.org/10.5281/zenodo.1170749
Dataset