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Doping in Garnet-Type Electrolytes: Kinetic and Thermodynamic Effects from Molecular Dynamics Simulations

preprint
submitted on 25.01.2019 and posted on 25.01.2019 by Matthieu Mottet, Aris Marcolongo, Ivano Tavernelli, Teodoro Laino
Molecular modeling using polarizable force fields of W-doped lithium containing garnets to understand the various aspect of the impact of doping on the lithium dynamics and conductivity.

Funding

NCCR MARVEL: Materials’ Revolution: Computational Design and Discovery of Novel Materials (phase I)

Swiss National Science Foundation

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History

Email Address of Submitting Author

matthieu.mottet@epfl.ch

Institution

IBM Research Zurich, EPFL

Country

Switzerland

ORCID For Submitting Author

0000-0001-7624-1124

Declaration of Conflict of Interest

No conflict of interest

Version Notes

Revision 1

Exports