Computational understanding of the structural and electronic properties of the GeS-graphene contact

doi:10.1039/c9cp00374f

	Computational understanding of the structural and electronic properties of the GeS-graphene contact
	Zhao, Jinfeng 2; Liang, Yan 1; Chen, Hong 1; Huang, Jindou 3
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2019-04-14
卷号	21 期号:14 页码:7447-7453
ISSN号	1463-9076
DOI	10.1039/c9cp00374f
通讯作者	Zhao, Jinfeng(jfzhao@dicp.ac.cn) ; Huang, Jindou(jindouhuang@dicp.ac.cn)
英文摘要	Two-dimensional (2D) metal-semiconductor junctions have shown significant potential for nanoelectronic and optoelectronic applications. Herein, the structural and electronic properties of a germanium monosulfide/graphene (GeS/G) van der Waals (vdW) heterostructure were explored using first-principles calculations. It was discovered that the structural rigidity and mechanical anisotropy of GeS could be significantly improved by loading graphene. In addition, the intrinsic characteristics of the atomic layer GeS and graphene were well preserved, and the formation of a p-type Schottky contact in the equilibrium state was demonstrated; moreover, the Schottky barrier height of the interface was sensitive to the external condition and could be reduced to zero via applying normal strain or a perpendicular electric field. These insightful results pave the way for experimental research and the design of other 2D nanomaterial-based electronic and optoelectronic devices.
资助项目	National Natural Science foundation of China[11604333]
WOS关键词	BLACK PHOSPHORUS ; MONOLAYER ; FIELD ; MOS2 ; SEMICONDUCTOR ; SCHOTTKY ; HETEROSTRUCTURES ; STRAIN
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000464580600019
资助机构	National Natural Science foundation of China ; National Natural Science foundation of China ; National Natural Science foundation of China ; National Natural Science foundation of China ; National Natural Science foundation of China ; National Natural Science foundation of China ; National Natural Science foundation of China ; National Natural Science foundation of China
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/165552]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
通讯作者	Zhao, Jinfeng; Huang, Jindou
作者单位	1.Shandong Univ, Sch Chem & Chem Engn, Sch Phys, Shandanan Str 27, Jinan 250100, Shandong, Peoples R China 2.Chinese Acad Sci, State Key Lab Mol React Dynam, Dalian Inst Chem Phys, Dalian 116023, Peoples R China 3.Dalian Nationalities Univ, Sch Phys & Mat Engn, Dalian 116600, Peoples R China
推荐引用方式 GB/T 7714	Zhao, Jinfeng,Liang, Yan,Chen, Hong,et al. Computational understanding of the structural and electronic properties of the GeS-graphene contact[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2019,21(14):7447-7453.
APA	Zhao, Jinfeng,Liang, Yan,Chen, Hong,&Huang, Jindou.(2019).Computational understanding of the structural and electronic properties of the GeS-graphene contact.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,21(14),7447-7453.
MLA	Zhao, Jinfeng,et al."Computational understanding of the structural and electronic properties of the GeS-graphene contact".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21.14(2019):7447-7453.