No Cover Image

Journal article 746 views 81 downloads

Unlocking the potential of weberite-type metal fluorides in electrochemical energy storage

Holger Euchner, Oliver Clemens, Anji Munnangi Orcid Logo

npj Computational Materials, Volume: 5, Issue: 1

Swansea University Author: Anji Munnangi Orcid Logo

  • euchner2019.pdf

    PDF | Version of Record

    This article is licensed under a Creative Commons Attribution 4.0 International License.

    Download (1.77MB)

Check full text

DOI (Published version): 10.1038/s41524-019-0166-3

Abstract

Sodium-ion batteries (NIBs) are a front-runner among the alternative battery technologies suggested for substituting the state-of-the-art lithium-ion batteries (LIBs). The specific energy of Na-ion batteries is significantly lower than that of LIBs, which is mainly due to the lower operating potenti...

Full description

Published in: npj Computational Materials
ISSN: 2057-3960
Published: 2019
Online Access: Check full text

URI: https://cronfa.swan.ac.uk/Record/cronfa51592
Tags: Add Tag
No Tags, Be the first to tag this record!
Abstract: Sodium-ion batteries (NIBs) are a front-runner among the alternative battery technologies suggested for substituting the state-of-the-art lithium-ion batteries (LIBs). The specific energy of Na-ion batteries is significantly lower than that of LIBs, which is mainly due to the lower operating potentials and higher molecular weight of sodium insertion cathode materials. To compete with the high energy density of LIBs, high voltage cathode materials are required for NIBs. Here we report a theoretical investigation on weberite-type sodium metal fluorides (SMFs), a new class of high voltage and high energy density materials which are so far unexplored as cathode materials for NIBs. The weberite structure type is highly favorable for sodium-containing transition metal fluorides, with a large variety of transition metal combinations (M, M’) adopting the corresponding Na2MM’F7 structure. A series of known and hypothetical compounds with weberite-type structure were computationally investigated to evaluate their potential as cathode materials for NIBs. Weberite-type SMFs show two-dimensional pathways for Na+ diffusion with surprisingly low activation barriers. The high energy density combined with low diffusion barriers for Na+ makes this type of compounds promising candidates for cathode materials in NIBs.
College: Faculty of Science and Engineering
Issue: 1

Similar Items