Nitride MXenes as sulfur hosts for thermodynamic and kinetic suppression of polysulfide shuttling: a computational study
Ke Fan, Yiran Ying, Xin Luo, Haitao Huang
Abstract
The modulation effect of surface terminating groups of nitride MXenes on the thermodynamic and kinetic suppression of polysulfide shuttling is studied by theoretical calculations.
Topics & Concepts
PolysulfideMXenesKinetic energySulfurNitrideMaterials scienceChemistryChemical physicsThermodynamicsNanotechnologyPhysical chemistryElectrodeLayer (electronics)PhysicsMetallurgyQuantum mechanicsElectrolyteMXene and MAX Phase MaterialsFuel Cells and Related Materials2D Materials and Applications