Enhancing sampling in atomistic simulations of solid state materials for batteries: a focus on olivine NaFePO4

The study of ion transport in electrochemically active materials for energy storage systems requires simulations on quantum- atomistic- and mesoscales. The methods accessing these scales not only have to be effective but also well compatible to provide a full description of the underlying processes....

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Bibliographische Detailangaben
Hauptverfasser: Escribano, Bruno, Lozano, Ariel, Radivojevic, Tijana, Fernandez-Pendas, Mario, Carrasco, Javier, Akhmatskaya, Elena
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Sprache:eng
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