Unravelling the Catalytic Activity of Dual-Metal Doped N6-Graphene for Sulfur Reduction via Machine Learning-Accelerated First-Principles Calculations

Sahil Kumar, Adithya Maurya K R, Mudit Dixit

Understanding and optimizing polysulfide adsorption and conversion processes are critical to mitigating shuttle effects and sluggish redox kinetics in lithium-sulfur batteries (LSB…