Martin, D.Z.C., Boston, R. orcid.org/0000-0002-2131-2236, Adedayo, B.A. et al. (5 more authors) (2025) Crystal structure and lithium-ion diffusion mechanism in the inverse spinel solid solution series, Li2+xNi2-2xCrxV2O8 (0 ≤ x ≤ 1). Physical Chemistry Chemical Physics. ISSN: 1463-9076
Abstract
A new solid solution series based on substitution of Cr into LiNiVO4, with the stoichiometric formula Li2+xNi2−2xCrxV2O8 (0 ≤ x ≤ 1), is reported here for the first time. The materials crystallise in the Fd[3 with combining macron]m space group as inverse spinels, with (at ambient temperatures) vanadium on the tetrahedral site and Li, Cr and/or Ni filling the octahedral interstices. High temperature neutron diffraction data are used to identify a continuous three-dimensional Li+-ion conduction pathway along 16c–8a–16c sites, with bulk activation energies ranging from 0.17 eV for powdered specimens to 0.53 eV for samples sintered at 550–650 °C. Lithium diffusion coefficients at 300 K were calculated from muon spectroscopy data to be in the region of 2 × 10−12 cm2 s−1. Preliminary electrochemical data show significant capacity loss after first discharge when employed as positive electrodes, as is common for similar inverse spinels, but show significant promise for negative electrode applications with ca. 110 mAh g−1 in reversible specific capacity remaining after 50 cycles at an average operating potential of ca. 0.6 V.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2025 The Authors. This is an Open Access article distributed under the terms of the Creative Commons Attribution-NonCommercial Licence (https://creativecommons.org/licenses/by-nc/4.0/). |
Dates: |
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Institution: | The University of Sheffield |
Academic Units: | The University of Sheffield > Faculty of Engineering (Sheffield) > School of Chemical, Materials and Biological Engineering |
Funding Information: | Funder Grant number ROYAL ACADEMY OF ENGINEERING (THE) RF1516/15/21 |
Date Deposited: | 02 Oct 2025 11:13 |
Last Modified: | 02 Oct 2025 11:35 |
Published Version: | https://doi.org/10.1039/d5cp02385h |
Status: | Published online |
Publisher: | Royal Society of Chemistry (RSC) |
Refereed: | Yes |
Identification Number: | 10.1039/d5cp02385h |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:232422 |