AA-stacked borophene–graphene bilayer as an anode material for alkali-metal ion batteries with a superhigh capacity  

作　　者：Yi-Bo Liang Zhao Liu Jing Wang Ying Liu 梁艺博;刘钊;王静;刘英(Department of Physics and Hebei Advanced Thin Film Laboratory,Hebei Normal University,Shijiazhuang 050024,China;National Key Laboratory for Materials Simulation and Design,Beijing 10083,China)

机构地区：[1]Department of Physics and Hebei Advanced Thin Film Laboratory,Hebei Normal University,Shijiazhuang 050024,China [2]National Key Laboratory for Materials Simulation and Design,Beijing 10083,China

出　　处：《Chinese Physics B》2022年第11期431-437,共7页中国物理B（英文版）

基　　金：Project supported by the National Natural Science Foundation of China(Grant No.12174084);the Scientific and Technological Research Foundation of Hebei Province,China(Grant No.ZD2021065);the Key Program of Natural Science Foundation of Hebei Province,China(Grant No.A2021205024)。

摘　　要：As the lightest two-dimensional material,monolayer borophene exhibits great potential as electrode materials,but it suffers from stability issues in the free-standing form.Here,the striped-borophene and graphene bilayer(sB/Gr)is found to be a high-performance anode material for rechargeable alkali-metal ion batteries.The first-principles results show that all the three alkali-metal atoms,Li,Na,and K,can be strongly adsorbed on sB/Gr with ultra-low diffusion barriers than that on pristine borophene/graphene,indicating good charge-discharge rates.Remarkably,high storage capacities are proposed for LIBs(1880 mA·h/g),NIBs(1648 mA·h/g),and KIBs(470 m A·h/g)with relatively small lattice change rate(<2.9%)in the process of alkali-metal atoms intercalations.These intriguing features of sB/Gr make it an excellent choice for batteries.

关 键 词：alkali-metal ion batteries borophene-graphene bilayer adsorption property diffusion behavior 

分 类 号：TM912[电气工程—电力电子与电力传动]