First-principles calculation of electronic properties and diffusion barriers of Sc2CCl2 and Sc2CF2 for metal (Li, Na, K) ion batteries
Mingzhu Liu, Xiao‐Hong Li, Hai‐Tao Yan, Rui-Zhou Zhang, Hong‐Ling Cui
Topics & Concepts
ElectronegativityOpen-circuit voltageMonolayerAdsorptionAnodeDensity functional theoryMXenesDiffusionIonChemical physicsMaterials scienceDiffusion barrierChemistryBattery (electricity)Computational chemistryPhysical chemistryNanotechnologyVoltageThermodynamicsElectrical engineeringLayer (electronics)EngineeringPower (physics)ElectrodePhysicsOrganic chemistryMXene and MAX Phase MaterialsAdvancements in Battery Materials2D Materials and Applications