Tuning polysulfide adsorption and catalytic activity <i>via</i> surface functionalization of Nb <sub>2</sub> TiN <sub>2</sub> MXene in Na–S batteries
Satheesh Mani, Md Mahbubul Islam
Abstract
), than the barriers for the polysulfides conversion in the gas phase (1.05 eV). These findings suggest that O-functionalization facilitates more favorable reaction kinetics by stabilizing key intermediates and lowering energy barriers compared to S-functionalization. This work provides critical insights for the rational design of advanced cathode hosts to enhance the electrochemical performance and cycle life of Na-S batteries.
Topics & Concepts
PolysulfideCatalysisAdsorptionChemical engineeringTinMaterials scienceSulfurSurface modificationTransition metalCathodeInorganic chemistryDensity functional theoryMetalChemistryEnergy storageNitrideRedoxKineticsSurface energyBinding energyElectron transferBattery (electricity)DissolutionActivation energyMXene and MAX Phase MaterialsAdvanced Battery Materials and TechnologiesFuel Cells and Related Materials