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

Christophe Legein, Benjamin Morgan, Franck Fayon, Toshinari Koketsu, Jiwei Ma, Monique Body, Vincent Sarou-Kanian, Xiankui Wei, Marc Heggen, Olaf Borkiewicz, Peter Strasser, Damien Dambournet

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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 interstitials 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-polarizing Al3+ ions should be considered when designing new electrode materials for multivalent batteries.
Original languageEnglish
Pages (from-to)19247-19253
Number of pages7
JournalAngewandte Chemie
Issue number43
Early online date10 Jul 2020
Publication statusPublished - 12 Oct 2020


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