A DFT prediction of two-dimensional MB<sub>3</sub> (M = V, Nb, and Ta) monolayers as excellent anode materials for lithium-ion batteries
Jiahui Wang, Lina Bai, Xiangru Zhao, Hong Gao, Li Niu
Abstract
chain exposed on the surface improving the Li atoms' direct adsorption. In addition, the adsorbed Li-ions are in an ordered hierarchical arrangement and the substrate structure remains intact at room temperature, which ensures excellent cycling performance. This work provides a novel idea for designing high-performance anode materials for LIBs.
Topics & Concepts
AnodeLithium (medication)IonMonolayerMaterials scienceChemistryNanotechnologyPhysical chemistryOrganic chemistryElectrodeEndocrinologyMedicineAdvancements in Battery MaterialsMXene and MAX Phase MaterialsGraphene research and applications