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Regensburg 2019 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 3: Materials for Energy Storage and Conversion

MM 3.3: Vortrag

Montag, 1. April 2019, 10:45–11:00, H44

Weberite-type sodium metal fluorides - promising cathode materials for sodium ion batteries — •Holger Euchner1, Anji Reddy1, Oliver Clemens2, and Groß Axel1,31Helmholtz Institute for Electrochemical Energy Storage, Ulm, Germany — 2Materials Design by Synthesis, Technical University Darmstadt, Darmstad, Germany — 3Institute of Theoretical Chemistry, Ulm University, Ulm, Germany

Among alternative battery technologies suggested for substituting the state of the art lithium-ion batteries (LIBs) Na ion batteries (NIBs) are one of the most promising candidates. However, due to the lower operating potential of the cathode material in current NIBs their specific energy is significantly lower than in LIBs. To compete with the high energy density of LIBs, high voltage cathode materials are required for NIBs. Here, we report a computational investigation of weberite-type sodium metal fluorides (Na2MM’F7), a new class of so far unexplored high voltage and high energy density materials. A series of known and hypothetical compounds with weberite-type structure are investigated and their potential as cathode materials for NIBs is evaluated. Weberite-type Na2MM’F7 shows quasi-three-dimensional Na diffusion with surprisingly low activation barriers. The high energy density combined with low barriers for Na diffusion makes Na2MM’F7 type compounds promising candidates for cathode materials in NIBs.

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