Functionalized MXenes as effective polyselenide immobilizers for lithium–selenium batteries: a density functional theory (DFT) study
Rahul Jayan, Md Mahbubul Islam
Abstract
Sulfur and oxygen functionalized MXenes are promising anchoring materials to inhibit polyselenides shuttling in Li–Se batteries.
Topics & Concepts
MXenesGrapheneDensity functional theoryMaterials scienceElectrochemistryAnchoringElectrolyteNanotechnologyCathodeDissolutionAdsorptionRedoxChemical physicsLithium (medication)Chemical engineeringElectrical conductorBattery (electricity)ConductivityMechanism (biology)CarbideElectrodeAdvanced Battery Materials and TechnologiesMXene and MAX Phase MaterialsInorganic Chemistry and Materials