能源化学(英文版)

能源化学(英文) ›› 2018, Vol. 27 ›› Issue (6): 1651-1654.DOI: 10.1016/j.jechem.2018.01.026

• Review • 上一篇    下一篇

All boron-based 2D material as anode material in Li-ion batteries

Ning Jiang, Biao Li, Fanghua Ning, Dingguo Xia   

  1. Beijing Key Lab of Theory and Technology for Advanced Batteries Materials, College of Engineering, Peking University, Beijing 100874, China
  • 收稿日期:2018-01-05 修回日期:2018-01-24 出版日期:2018-11-15 发布日期:2018-10-12
  • 通讯作者: Dingguo Xia
  • 基金资助:

    This work was financially supported by the New Energy Project for Electric Vehicle of National Key Research and Development Program (2016YFB0100200), the National Natural Science Foundation of China (51671004, U1764255) and National Postdoctoral Program for Innovative Talents (BX201700001).

All boron-based 2D material as anode material in Li-ion batteries

Ning Jiang, Biao Li, Fanghua Ning, Dingguo Xia   

  1. Beijing Key Lab of Theory and Technology for Advanced Batteries Materials, College of Engineering, Peking University, Beijing 100874, China
  • Received:2018-01-05 Revised:2018-01-24 Online:2018-11-15 Published:2018-10-12
  • Contact: Dingguo Xia
  • Supported by:

    This work was financially supported by the New Energy Project for Electric Vehicle of National Key Research and Development Program (2016YFB0100200), the National Natural Science Foundation of China (51671004, U1764255) and National Postdoctoral Program for Innovative Talents (BX201700001).

PDF

0

摘要： To design the high-energy-density Li-ion batteries, the anode materials with high specific capacity have attracted much attention. In this work, we adopt the first principles calculations to investigate the possibility of a new two dimensional boron material, named BG, as anode material for Li-ion batteries. The calculated results show that the maximum theoretical specific capacity of BG is 1653 mAh g-1 (LiB1.5). Additionally, the energy barriers of Li ion and Li vacancy diffusion are 330 meV and 110 meV, respectively, which imply fast charge and discharge ability for BG as an anode material. The theoretical findings reported in this work suggest that BG is a potential candidate as anode material of high-energy-density Li-ion batteries.

关键词: All boron-based 2D material, Anode materials, Li-ion batteries, First principles calculations

Abstract: To design the high-energy-density Li-ion batteries, the anode materials with high specific capacity have attracted much attention. In this work, we adopt the first principles calculations to investigate the possibility of a new two dimensional boron material, named BG, as anode material for Li-ion batteries. The calculated results show that the maximum theoretical specific capacity of BG is 1653 mAh g-1 (LiB1.5). Additionally, the energy barriers of Li ion and Li vacancy diffusion are 330 meV and 110 meV, respectively, which imply fast charge and discharge ability for BG as an anode material. The theoretical findings reported in this work suggest that BG is a potential candidate as anode material of high-energy-density Li-ion batteries.

Key words: All boron-based 2D material, Anode materials, Li-ion batteries, First principles calculations