Understanding the precipitation mechanism in pentavalent vanadium electrolytes through deep learning potential molecular dynamics
Abstract
. Based on these mechanistic insights, an anion coordination strategy was proposed to suppress precipitation. Experimental validation confirmed that strongly coordinating anions such as phosphate and arsenate extend precipitation onset from 10 hours to 150-200 hours at 50 °C. This study elucidates the precipitation mechanism and provides guidance for electrolyte formulation optimization in VFBs.
Fields of Study & Subjects
Advanced battery technologies research
Electrocatalysts for Energy Conversion
Machine Learning in Materials Science
Publication details
- Journal / source
- Chemical Science
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 17
- Issue
- 23
- Pages
- 11403–11411
- Publication date
- 1 January 2026
- Language
- EN