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Add an extended CITATION.cff file.
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peikai committed Apr 21, 2022
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2 changes: 1 addition & 1 deletion CITATION.cff
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If the codes facilitate your work, please cite both the research article from preferred-citation and the codes itself.
type: software
version: 2.1
doi: 10.5281/zenodo.6472078
doi: 10.5281/zenodo.6475023
date-released: 2022-04-20
url: "https://github.com/peikai/IEIs"
authors:
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2 changes: 0 additions & 2 deletions README.md
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# Searching for Ion and Electron Insulators
[![DOI](https://zenodo.org/badge/228514002.svg)](https://zenodo.org/badge/latestdoi/228514002)

We would like to introduce three types of *ion and electron insulators*, i.e. *Li-ion & electron insulators* (LEIs), *Na-ion & electron insulators* (NEIs), and *K-ion & electron insulators* (KEIs), and provide a set of codes here to screen candidate materials from computational material database, [Materials Project](https://materialsproject.org). The IEI materials are able to block the transport of multiple charge carriers (ions and electrons) and stay thermodynamically stable against specific alkali-metals. The screening workflows and usage of IEI materials in rechargeable solid-state Li/Na/K metal batteries are presented in the paper below.

> Pei, K., Kim, S.Y. & Li, J. Electrochemically stable lithium-ion and electron insulators (LEIs) for solid-state batteries. Nano Res. (2021). https://doi.org/10.1007/s12274-021-3627-1
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