Projects per year
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 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 language | English |
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Pages (from-to) | 19247-19253 |
Number of pages | 7 |
Journal | Angewandte Chemie |
Volume | 59 |
Issue number | 43 |
Early online date | 10 Jul 2020 |
DOIs | |
Publication status | Published - 12 Oct 2020 |
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Dive into the research topics of 'Atomic Insights into Aluminium-Ion Insertion in Defective Anatase for Batteries'. Together they form a unique fingerprint.Projects
- 2 Finished
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Computational Discovery of Conduction Mechanisms in Lithium-Ion Solid Electrolytes
Morgan, B. (PI)
1/10/19 → 30/09/22
Project: Research council
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Dr B Morgan URF - Modelling Collective Lithium-Ion Dynamics in Battery Materials
Morgan, B. (PI)
1/10/14 → 30/09/19
Project: Research council
Datasets
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Computational Supporting Dataset: Atomic Insights into Aluminium-Ion Insertion in Defective Hydroxyfluorinated Anatase for Batteries
Morgan, B. (Creator), University of Bath, 10 Jul 2020
DOI: 10.15125/BATH-00815
Dataset