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

doi:10.1088/1674-1056/ac7859

中国物理B ›› 2022, Vol. 31 ›› Issue (11): 116302-116302.doi: 10.1088/1674-1056/ac7859

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

Yi-Bo Liang(梁艺博)¹, Zhao Liu(刘钊)¹, Jing Wang(王静)^1,†, and Ying Liu(刘英)^1,2

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 100083, China

收稿日期:2022-02-15 修回日期:2022-05-15 接受日期:2022-06-14 出版日期:2022-10-17 发布日期:2022-10-19
通讯作者: Jing Wang E-mail:jwang@hebtu.edu.cn
基金资助:
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), and the Key Program of Natural Science Foundation of Hebei Province, China (Grant No. A2021205024).

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

Yi-Bo Liang(梁艺博)¹, Zhao Liu(刘钊)¹, Jing Wang(王静)^1,†, and Ying Liu(刘英)^1,2

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 100083, China

Received:2022-02-15 Revised:2022-05-15 Accepted:2022-06-14 Online:2022-10-17 Published:2022-10-19
Contact: Jing Wang E-mail:jwang@hebtu.edu.cn
Supported by:
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), and the Key Program of Natural Science Foundation of Hebei Province, China (Grant No. A2021205024).

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摘要/Abstract

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 mA·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

Abstract: 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 mA·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.

Key words: alkali-metal ion batteries, borophene-graphene bilayer, adsorption property, diffusion behavior

中图分类号: (First-principles theory)

63.20.dk

82.47.Aa (Lithium-ion batteries) 82.47.Jk (Photoelectrochemical cells, photoelectrochromic and other hybrid electrochemical energy storage devices) 96.15.Pf (Physical properties of materials)

Yi-Bo Liang(梁艺博), Zhao Liu(刘钊), Jing Wang(王静), and Ying Liu(刘英). AA-stacked borophene-graphene bilayer as an anode material for alkali-metal ion batteries with a superhigh capacity[J]. 中国物理B, 2022, 31(11): 116302-116302.

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

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

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