Publication in Energy Advances
Our manuscript titled Virtual Screening of Organic Quinones as Cathode Materials for Sodium-Ion Batteries has been published in Energy Advances from the Royal Society of Chemistry (RSC). In this study, we applied a DFT-empowered high-throughput virtual screening study that reckoned with the most essential battery-relevant properties of 448,658 molecules. Among them, we identified 17 highly promising compounds for validation as candidate cathode materials in sodium-ion batteries, which are seen as alternatives to lithium-ion batteries because of the natural abundance, low cost, and high safety of sodium when compared to lithium.