ArticleChemical science2026
Understanding the precipitation mechanism in pentavalent vanadium electrolytes through deep learning potential molecular dynamics.
Article in Chemical science, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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4 authors.
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Abstract
Vanadium flow batteries (VFBs) represent one of the promising options for large-scale energy storage, yet the precipitation of pentavalent (V(v)) species under elevated temperature and high state-of-charge severely limits energy density and cycle life. However, due to the lack of approaches capable of tracking the liquid-to-solid transition at atomic resolution, the mechanism underlying this precipitation has remained elusive. Here, we employ deep potential molecular dynamics (DPMD) to investigate the precipitation process in vanadium electrolytes. A high-accuracy deep potential model, with energy errors below 1 meV and force errors below 60 meV Å
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