期刊
CARBON
卷 153, 期 -, 页码 767-775出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.carbon.2019.07.053
关键词
-
资金
- National Natural Science Foundation of China [21703192]
- Natural Science Foundation of Hunan Province [2017JJ3295]
- Scientific Research Fund of Hunan Province [16K083]
- China Scholarship Council [[2018]3058]
- Degree & Postgraduate Education Reform Project of Hunan Province [JG2018B052]
- Civil Engineering and Mechanics Computing Center of Xiangtan University
- UNL Holland Computing Center
Antimony has been regarded as a promising anode for Na-ion batteries (NIBs) owing to its high specific capacity and electrical conductivity, as well as low potential range. However, its practical application is largely hindered by the poor cyclability due to the acute pulverization. Herein, we propose a trilayer graphene/antimonene/graphene (G/Sb/G) heterostructure as a potential anode material for NIBs. The aim of this anode design is to markedly increase the surface active sites via modifying the two-dimensional morphology and to alleviate volume expansion by introducing the graphene buffer. Based on density functional theory calculations and ab initio molecular dynamics simulations, the structural, electronic, mechanical properties, and the Na storage characteristics of the G/Sb/G heterostructure are systematically investigated. The results indicate that the G/Sb/G heterostructure exhibits superior thermodynamic stability, good electronic conductivity and ultrahigh stiffness. The trilayer G/Sb/G heterostructure can provide strong binding with sodium and low-migration barrier for sodium, endowing the anode with high specific capacity and good rate capability. More importantly, the coupling interaction between graphene and antimonene can greatly suppress the structural destruction of the antimonene layer during the sodiation process, offering excellent cyclability. Our findings suggest that the G/Sb/G heterostructure is a promising anode material for practical NIBs. (C) 2019 Elsevier Ltd. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据