Understanding the interaction of N-doped graphene and sulfur compounds in a lithium–sulfur battery: a density functional theory investigation
Yingying Gong, Wanyong Ma, Zhen Xu, Yixuan Wang
Abstract
Pyrrolic N has the strongest adsorption toward Li 2 S x mainly via forming the coordination bond of LiN 3 .
Topics & Concepts
ChemistrySulfurDensity functional theoryLithium–sulfur batteryGrapheneLithium (medication)Battery (electricity)DopingAdsorptionInorganic chemistryComputational chemistryElectrochemistryNanotechnologyOrganic chemistryPhysical chemistryElectrodeThermodynamicsCondensed matter physicsPower (physics)PhysicsMedicineMaterials scienceEndocrinologyAdvanced Battery Materials and TechnologiesAdvancements in Battery MaterialsInorganic Chemistry and Materials