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Improved cycling stability in high-capacity Li-rich vanadium containing disordered rock salt oxyfluoride cathodes
Helmholtz Inst Ulm Electrochem Energy Storage, Helmholtzstr 11, D-89081 Ulm, Germany.ORCID iD: 0000-0002-1512-2735
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Molecular and Condensed Matter Physics.ORCID iD: 0000-0001-8333-0088
Helmholtz Inst Ulm Electrochem Energy Storage, Helmholtzstr 11, D-89081 Ulm, Germany.
Tech Univ Denmark, Dept Energy Convers & Storage, DK-2800 Lyngby, Denmark.
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2019 (English)In: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 7, no 37, p. 21244-21253Article in journal (Refereed) Published
Abstract [en]

Lithium-rich transition metal disordered rock salt (DRS) oxyfluorides have the potential to lessen one large bottleneck for lithium ion batteries by improving the cathode capacity. However, irreversible reactions at the electrode/electrolyte interface have so far led to fast capacity fading during electrochemical cycling. Here, we report the synthesis of two new Li-rich transition metal oxyfluorides Li2V0.5Ti0.5O2F and Li2V0.5Fe0.5O2F using the mechanochemical ball milling procedure. Both materials show substantially improved cycling stability compared to Li2VO2F. Rietveld refinements of synchrotron X-ray diffraction patterns reveal the DRS structure of the materials. Based on density functional theory (DFT) calculations, we demonstrate that substitution of V3+ with Ti3+ and Fe3+ favors disordering of the mixed metastable DRS oxyfluoride phase. Hard X-ray photoelectron spectroscopy shows that the substitution stabilizes the active material electrode particle surface and increases the reversibility of the V3+/V5+ redox couple. This work presents a strategy for stabilization of the DRS structure leading to improved electrochemical cyclability of the materials.

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2019. Vol. 7, no 37, p. 21244-21253
National Category
Materials Chemistry
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URN: urn:nbn:se:uu:diva-396724DOI: 10.1039/c9ta06291bISI: 000489345300018OAI: oai:DiVA.org:uu-396724DiVA, id: diva2:1375743
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EU, Horizon 2020, 711792EU, Horizon 2020, 730872Available from: 2019-12-05 Created: 2019-12-05 Last updated: 2019-12-12Bibliographically approved

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Baur, ChristianKällquist, IdaJohnsen, Rune E.Naylor, Andrew J.Edström, KristinaHahlin, Maria
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