Guided phase transition for mitigating voltage hysteresis of iron fluoride cathode materials in lithium-ion batteries

Guided phase transition for mitigating voltage hysteresis of iron fluoride cathode materials in lithium-ion batteries | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Article Guided phase transition for mitigating voltage hysteresis of iron fluoride cathode materials in lithium-ion batteries Sung-Kyun Jung, Hyoi Jo, Minjeong Gong, Se Young Kim, Dong-Hwa Seo This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-5571992/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 29 Sep, 2025 Read the published version in Nature Communications → Version 1 posted You are reading this latest preprint version Abstract Despite the high capacity attained by conversion-reaction-based metal-fluoride cathode materials in lithium-ion batteries through multiple electron storage, the large voltage hysteresis and low structural reversibility constrain their use. Herein, we propose guided phase transitions for designing conversion cathode materials that undergo minimal structural changes upon lithium-ion storage. This approach reduces the compositional inhomogeneity, a culprit of the voltage hysteresis, while providing high structural reversibility. Unlike the thermodynamically stable rhombohedral FeF3 (R-FeF3), which suffers from irreversible phase transitions accompanied by drastic structural evolution, tetragonal FeF3 (T-FeF3), a thermodynamically metastable phase guided by fluoride-ion incorporation into FeF2 from the electrochemical splitting of LiF, undergoes facile and reversible phase transitions during intercalation and conversion reactions by sustaining its structural integrity upon charge and discharge. Our research provides valuable insights into the significance of avoiding an irreversible reaction pathway and inducing it to minimize changes in the crystal structure for the design of conversion cathode materials with low voltage hysteresis and excellent cycle stability. Physical sciences/Materials science/Materials for energy and catalysis/Batteries Physical sciences/Energy science and technology/Energy storage/Batteries Physical sciences/Chemistry/Energy Full Text Additional Declarations There is NO Competing Interest. Supplementary Files SupportingInformation.pdf Supporting Information Cite Share Download PDF Status: Published Journal Publication published 29 Sep, 2025 Read the published version in Nature Communications → Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. 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Also discoverable on Platform About Our Team In Review Editorial Policies Advisory Board Help Center Resources Author Services Accessibility API Access RSS feed Manage Cookie Preferences © Research Square 2026 | ISSN 2693-5015 (online) Privacy Policy Terms of Service Do Not Sell My Personal Information {"props":{"pageProps":{"initialData":{"identity":"rs-5571992","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":391415519,"identity":"1eb22b62-337d-4adc-83c5-2c4fed9dee09","order_by":0,"name":"Sung-Kyun 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