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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Persson, Kristin A.
in Cooperation with on an Cooperation-Score of 37%
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Publications (6/6 displayed)
- 2024Alkali‐Ion‐Assisted Activation of ε‐VOPO<sub>4</sub> as a Cathode Material for Mg‐Ion Batteriescitations
- 2021Efficient calculation of carrier scattering rates from first principlescitations
- 2020Conformational Entropy as a Means to Control the Behavior of Poly(diketoenamine) Vitrimers In and Out of Equilibriumcitations
- 2019Efficient Pourbaix diagrams of many-element compoundscitations
- 2018Evaluation of thermodynamic equations of state across chemistry and structure in the materials projectcitations
- 2016Mechanistic insights into chemical and photochemical transformations of bismuth vanadate photoanodescitations
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article
Alkali‐Ion‐Assisted Activation of ε‐VOPO<sub>4</sub> as a Cathode Material for Mg‐Ion Batteries
Abstract
<jats:title>Abstract</jats:title><jats:p>Rechargeable multivalent‐ion batteries are attractive alternatives to Li‐ion batteries to mitigate their issues with metal resources and metal anodes. However, many challenges remain before they can be practically used due to the low solid‐state mobility of multivalent ions. In this study, a promising material identified by high‐throughput computational screening is investigated, ε‐VOPO<jats:sub>4</jats:sub>, as a Mg cathode. The experimental and computational evaluation of ε‐VOPO<jats:sub>4</jats:sub> suggests that it may provide an energy density of >200 Wh kg<jats:sup>−1</jats:sup> based on the average voltage of a complete cycle, significantly more than that of well‐known Chevrel compounds. Furthermore, this study finds that Mg‐ion diffusion can be enhanced by co‐intercalation of Li or Na, pointing at interesting correlation dynamics of slow and fast ions.</jats:p>