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

preprint
submitted on 25.01.2019, 10:20 and posted on 25.01.2019, 16:08 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