Data and analysis for computational results in “Substantial Oxygen Loss and Chemical Expansion in Lithium-Rich Layered Oxides at Moderate Delithiation ”

Scripts to analyse and plot computational data supporting: Substantial Oxygen Loss and Chemical Expansion in Lithium-Rich Layered Oxides at Moderate Delithiation (ChemRxiv).

Manscript authors:

• Peter M. Csernica (orcid: 0000-0003-4259-1614)
• Kit McColl (orcid: 0000-0002-7794-8276)
• Grace M. Busse
• Kipil Lim
• Diego F. Rivera
• David A. Shapiro
• M. Saiful Islam (orcid: 0000-0002-3056-8233)
• William C. Chueh

Computational contributors:

• Kit McColl (orcid: 0000-0002-7794-8276)
• M. Saiful Islam (orcid: 0000-0002-3056-8233)

Summary

This repository contains the analysis and figure-plotting workflow for the computational results in the manuscript “Substantial Oxygen Loss and Chemical Expansion in Lithium-Rich Layered Oxides at Moderate Delithiation ” ((ChemRxiv).

The repository contains two main sub-directories:

• Data (data here)
• Analysis (data analysis here)