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European

Magnesium Interactive

Battery Community

European Commission

This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 824066

Automatic migration path exploration for multivalent battery cathodes using geometrical descriptors

06/10/2021

Publications
Scientific

This article presents a systematic study, in the framework of Density Functional Theory, including the estimation of the diffusion barrier for 16 materials through employing Nudged Elastic Band (NEB) calculations.The work on automatic exploring migration paths in batteries using geometrical descriptors is described. Don't miss it!

You can read it at: Automatic migration path exploration for multivalent battery cathodes using geometrical descriptors - Bölle - - Batteries & Supercaps - Wiley Online Library