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Atomic Insights into Aluminium‐Ion Insertion in Defective Anatase for Batteries

Abstract : Aluminium batteries constitute a safe and sustainable high‐energy‐density electrochemical energy‐storage solution. Viable Al‐ion batteries require suitable electrode materials that can readily intercalate high‐charge Al3+ ions. Here, we investigate the Al3+ intercalation chemistry of anatase TiO2 and how chemical modifications influence the accommodation of Al3+ ions. We use fluoride‐ and hydroxide‐doping to generate high concentrations of titanium vacancies. The coexistence of these hetero‐anions and titanium vacancies leads to a complex insertion mechanism, attributed to three distinct types of host sites: native interstitial sites, single vacancy sites, and paired vacancy sites. We demonstrate that Al3+ induces a strong local distortion within the modified TiO2 structure, which affects the insertion properties of the neighbouring host sites. Overall, specific structural features induced by the intercalation of highly polarising Al3+ ions should be considered when designing new electrode materials for polyvalent batteries.
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Submitted on : Wednesday, September 23, 2020 - 4:33:00 PM
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Christophe Legein, Benjamin Morgan, Franck Fayon, Toshinari Koketsu, Jiwei Ma, et al.. Atomic Insights into Aluminium‐Ion Insertion in Defective Anatase for Batteries. Angewandte Chemie International Edition, Wiley-VCH Verlag, 2020, ⟨10.1002/anie.202007983⟩. ⟨hal-02947103⟩



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