A DFT study on a borophene/boron nitride interface for its application as an electrode
Muhammad Isa Khan, Abdul Majid, Naveed Ashraf, Irslan Ullah
Abstract
, which is higher than that of bare borophene and several other 2D materials. Furthermore, nudged elastic band (NEB) calculations indicated a low energy barrier to diffusion of Li in the interface. These advantages of the B/BN interface make it an excellent choice as an anode material for LIBs.
Topics & Concepts
BoropheneBoron nitrideElectrodeBoronMaterials scienceInterface (matter)NitrideNanotechnologyChemistryPhysical chemistryComposite materialLayer (electronics)GrapheneOrganic chemistryCapillary actionCapillary numberAdvancements in Battery MaterialsSemiconductor materials and devicesGraphene research and applications