K+柱撑石墨烯包覆LiCoO2界面的性能OA

LiCoO2 faces interfacial failure challenges during the cycling process.Constructing a surface coating layer can enhance the Coulombic efficiency and cycling stability of LiCoO2.Microscopic interaction mechanism on the coating-electrode interface is still unrevealed,resulting in the lack of a theoretical basis for the design of coating layers.The interfaces of graphene-coated and K+pillared graphene-coated LiCoO2 are respectively constructed.The electrical performance and Li+transport performance at the interface between the coating layers and LiCoO2 are studied by first-principles calculation method.Both of graphene-coated and K+pillared graphene-coated LiCoO2 interfaces exhibit high electronic conductivity,the N-type Schottky barrier is only 0.06 eV.The K+pillaring not only increase the interlayer spacing of graphene,but also enhance the electrical conductivity.The K+pillared graphene coating of LiCoO2 is more conducive to electron transfer and rapid Li+diffusion at the coating interface.