对二维Graphene/VS<sub>2</sub>/BN范德华多层异质结构作为LIBs的阳极材料的相关研究

伍虎; 唐贵平; 肖事成; 范志强

doi:10.12263/DZXB.20230202

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对二维Graphene/VS₂/BN范德华多层异质结构作为LIBs的阳极材料的相关研究

学术论文 | 更新时间：2025-12-11

- 对二维Graphene/VS₂/BN范德华多层异质结构作为LIBs的阳极材料的相关研究
- Research on Two-Dimensional Graphene/VS₂/BN Van Der Waals Multilayer Heterostructure as Anode Material of LIBs
- 电子学报 2024年52卷第5期页码：1543-1552
- 作者机构：
  
  长沙理工大学物理与电子科学学院，湖南长沙 410014
- 作者简介：
  
  [ "伍虎男，1998年出生，湖南邵阳人.分别于2020年、2023年在长沙理工大学获得电子信息科学与技术专业学士学位、电子科学与技术专业硕士学位.主要研究方向为纳米电子材料.E-mail： wuhu981214@163.com" ]
  [ "唐贵平男，1968年出生.于2013年在中南大学获电子信息材料与器件专业博士学位.现为长沙理工大学教授、硕士生导师.主要研究方向为纳米自旋电子器件的设计、新型二维材料的电磁学性质." ]
  [ "肖事成男，1999年出生，湖南溆浦人.于2022年在牡丹江师范学院获得材料物理专业学士学位.现在长沙理工大学攻读硕士学位.主要研究方向为纳米电子材料." ]
  [ "范志强男，1982年出生.于2010年在湖南大学获凝聚态物理专业博士学位.现为长沙理工大学教授、博士生导师.主要研究方向为二维材料场效应器件的计算设计与性能调控、纳米器件的计算模拟与机理探索." ]
- 基金信息：
  
  国家自然科学基金(12074046)
- DOI：10.12263/DZXB.20230202
  中图分类号： TN403;
- 收稿：2023-03-06，
  
  修回：2023-11-21，
  
  纸质出版：2024-05-25
- 稿件说明：
移动端阅览
伍虎, 唐贵平, 肖事成, 等. 对二维Graphene/VS₂/BN范德华多层异质结构作为LIBs的阳极材料的相关研究[J]. 电子学报, 2024, 52(05): 1543-1552.

WU Hu, TANG Gui-ping, XIAO Shi-cheng, et al. Research on Two-Dimensional Graphene/VS₂/BN Van Der Waals Multilayer Heterostructure as Anode Material of LIBs[J]. Acta Electronica Sinica, 2024, 52(05): 1543-1552.
伍虎, 唐贵平, 肖事成, 等. 对二维Graphene/VS₂/BN范德华多层异质结构作为LIBs的阳极材料的相关研究[J]. 电子学报, 2024, 52(05): 1543-1552. DOI：10.12263/DZXB.20230202

WU Hu, TANG Gui-ping, XIAO Shi-cheng, et al. Research on Two-Dimensional Graphene/VS₂/BN Van Der Waals Multilayer Heterostructure as Anode Material of LIBs[J]. Acta Electronica Sinica, 2024, 52(05): 1543-1552. DOI：10.12263/DZXB.20230202

摘要

通过范德华尔斯作用将单层石墨烯（Graphene）、单层二硫化钒（VS

）和单层氮化硼（BN）构建成Graphene/VS

/BN范德华三层异质结构，并将其与不同数量的锂结合，研究了其作为锂离子电池（Li-Ion Batterys，LIBs）中阳极电极材料的可行性.Graphene/VS

/BN范德华三层异质结构具有

https://html.publish.founderss.cn/rc-pub/api/common/picture?pictureId=61953825&type=

2.28600001

https://html.publish.founderss.cn/rc-pub/api/common/picture?pictureId=61953816&type=

7.36600018

eV/Å

的形成能，具有较强的稳定性，理论上可实现合成.同时，计算了Graphene/VS

/BN范德华异质结构的平面内刚度，得出的杨氏模量（

）为886.88 N/m，高于单层VS

的

（82.5 N/m），具有较好的力学性能.Graphene/VS

/BN范德华三层异质结构表面和界面上吸附Li的吸附能（

https://html.publish.founderss.cn/rc-pub/api/common/picture?pictureId=61953829&type=

2.70933342

https://html.publish.founderss.cn/rc-pub/api/common/picture?pictureId=61953830&type=

14.30866718

）远大于相应单层的吸附能，表明其对Li具有较好的吸附性能. Li在Graphene/VS

/BN范德华三层异质结构的不同表面和界面处迁移时的扩散势垒非常小（0.3~0.6 eV），对电池速率性能极为有利.Graphene/VS

/BN范德华三层异质结构在LIBs的阳极电极材料方面的应用具有广泛的前景.

Abstract

In this paper

single-layer Graphene

single-layer VS

and single-layer BN were synthesized into Graphene/VS

/BN van der Waals heterostructure by van der Waals interaction

and the feasibility of using it as anode electrode material in li-ion batterys (LIBs) was studied by combin

ing it with different amounts of lithium. Graphene/VS

/BN van der Waals three-layer heterostructure has a formation energy of

https://html.publish.founderss.cn/rc-pub/api/common/picture?pictureId=61953833&type=

2.28600001

https://html.publish.founderss.cn/rc-pub/api/common/picture?pictureId=61953840&type=

7.36600018

eV/Å

which has strong stability and can be synthesized theoretically. At the same time

the in-plane stiffness of Graphene/VS

/BN van der waals heterostructure is also calculated

and the Young’s modulus (Y) is 886.88 N/m

which is higher than that of single-layer VS

(82.5 N/m)

and it has good mechanical properties. The adsorption energy (

https://html.publish.founderss.cn/rc-pub/api/common/picture?pictureId=61953843&type=

2.70933342

https://html.publish.founderss.cn/rc-pub/api/common/picture?pictureId=61953854&type=

14.13933277

) of Li adsorbed on the surface and interface of Graphene/VS

/BN van der Waals three-layer heterostructure is much larger than that of the corresponding monolayer

which indicates that it has good adsorption performance for Li. When Li migrates at differe

nt surfaces and interfaces of Graphene/VS

/BN van der Waals three-layer heterostructure

the diffusion barrier is very small (0.3~0.6 eV)

which is extremely beneficial to the battery rate performance. Our research shows that the Graphene/VS

/BN van der Waals three-layer heterostructure has a broad prospect in anode electrode materials of LIBs.

关键词

Keywords

references

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对二维Graphene/VS2/BN范德华多层异质结构作为LIBs的阳极材料的相关研究

Research on Two-Dimensional Graphene/VS2/BN Van Der Waals Multilayer Heterostructure as Anode Material of LIBs

DOI：10.12263/DZXB.20230202

摘要

Abstract

关键词

Keywords

references

对二维Graphene/VS₂/BN范德华多层异质结构作为LIBs的阳极材料的相关研究

Research on Two-Dimensional Graphene/VS₂/BN Van Der Waals Multilayer Heterostructure as Anode Material of LIBs