Graphene/antimonene/graphene heterostructure

A potential anode for sodium-ion batteries

Jincang Su, Wenkang Li, Tengfei Duan, Bin Xiao, Xianyou Wang, Yong Pei, Xiao C Zeng

Research output: Contribution to journalArticle

Abstract

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.

Original languageEnglish (US)
Pages (from-to)767-775
Number of pages9
JournalCarbon
Volume153
DOIs
StatePublished - Nov 1 2019

Fingerprint

Graphite
Graphene
Heterojunctions
Anodes
Sodium
Ions
Antimony
Density functional theory
Molecular dynamics
Buffers
Thermodynamic stability
Stiffness
Mechanical properties
Computer simulation

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)

Cite this

Graphene/antimonene/graphene heterostructure : A potential anode for sodium-ion batteries. / Su, Jincang; Li, Wenkang; Duan, Tengfei; Xiao, Bin; Wang, Xianyou; Pei, Yong; Zeng, Xiao C.

In: Carbon, Vol. 153, 01.11.2019, p. 767-775.

Research output: Contribution to journalArticle

Su, Jincang ; Li, Wenkang ; Duan, Tengfei ; Xiao, Bin ; Wang, Xianyou ; Pei, Yong ; Zeng, Xiao C. / Graphene/antimonene/graphene heterostructure : A potential anode for sodium-ion batteries. In: Carbon. 2019 ; Vol. 153. pp. 767-775.
@article{acf0583e020d46f3a9ffe89d0d0df163,
title = "Graphene/antimonene/graphene heterostructure: A potential anode for sodium-ion batteries",
abstract = "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.",
author = "Jincang Su and Wenkang Li and Tengfei Duan and Bin Xiao and Xianyou Wang and Yong Pei and Zeng, {Xiao C}",
year = "2019",
month = "11",
day = "1",
doi = "10.1016/j.carbon.2019.07.053",
language = "English (US)",
volume = "153",
pages = "767--775",
journal = "Carbon",
issn = "0008-6223",
publisher = "Elsevier Limited",

}

TY - JOUR

T1 - Graphene/antimonene/graphene heterostructure

T2 - A potential anode for sodium-ion batteries

AU - Su, Jincang

AU - Li, Wenkang

AU - Duan, Tengfei

AU - Xiao, Bin

AU - Wang, Xianyou

AU - Pei, Yong

AU - Zeng, Xiao C

PY - 2019/11/1

Y1 - 2019/11/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85069930658&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85069930658&partnerID=8YFLogxK

U2 - 10.1016/j.carbon.2019.07.053

DO - 10.1016/j.carbon.2019.07.053

M3 - Article

VL - 153

SP - 767

EP - 775

JO - Carbon

JF - Carbon

SN - 0008-6223

ER -