Regulating the coordination environment of single atom catalysts anchored on C3N monolayer for Li-S battery by first-principles calculations
Jiezhen Xia, Rong Cao, Wanlin Xu, Qi Wu
Topics & Concepts
Density functional theoryCatalysisConductivityAtom (system on chip)ChemistryRedoxAdsorptionBattery (electricity)Chemical physicsNanotechnologyChemical engineeringMaterials sciencePhysical chemistryComputational chemistryInorganic chemistryOrganic chemistryThermodynamicsPhysicsEngineeringComputer scienceEmbedded systemPower (physics)Advanced Battery Materials and TechnologiesAdvancements in Battery MaterialsMXene and MAX Phase Materials