Structural, mechanical and electronic properties of in-plane 1T/2H phase interface of MoS2 heterostructures

被引：40

作者：

Guo, Xiaoyan ^{[1
]}

Yang, Guohui ^{[1
]}

Zhang, Junfeng ^{[1
,2
]}

Xu, Xiaohong ^{[2
]}

机构：

[1] Shanxi Normal Univ, Sch Phys & Informat Engn, Linfen 041004, Peoples R China

[2] Shanxi Normal Univ, Minist Educ, Key Lab Magnet Mol & Magnet Informat Mat, Linfen 041004, Peoples R China

来源：

AIP ADVANCES | 2015年 / 5卷 / 09期

基金：

中国国家自然科学基金;

关键词：

HEXAGONAL BORON-NITRIDE; GRAIN-BOUNDARIES; MONOLAYER MOS2; LAYER MOS2; GRAPHENE; TRANSITION; PHOTOLUMINESCENCE; STRENGTH;

D O I：

10.1063/1.4932040

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Two-dimensional (2D) molybdenum disulfide (MoS2) phase hybrid system composed by 2H and 1T phase is a natural metal/semiconductor heterostructures and promised a wide range of potential applications. Here, we report the first principle investigations on the structural, mechanical and electronic properties of hybrid system with armchair (AC) and zigzag (ZZ) interfaces. The ZZ type 1T/2H interface are more energy favorable than AC type interface with 3.39 eV/nm. Similar with that of bulked 1T MoS2, the intrinsic strengths of the heterostructures are lower than that of the bulk 2H, especially for that with ZZ interface. Analysis of density of states shows that the electronic properties gradually transmitted from the metallic 1T phase to the semiconducting 2H phase for the structural abrupt interface. The present theoretical results constitute a useful picture for the 2D electronic devices using current MoS2 1T/2H heterostructures and provide vital insights into the other 2D hybrid materials. (C) 2015 Author(s).

引用

页数：10

共 37 条

[21] Quasi-Freestanding Monolayer Heterostructure of Graphene and Hexagonal Boron Nitride on Ir(111) with a Zigzag Boundary [J].

Liu, Mengxi ;

Li, Yuanchang ;

Chen, Pengcheng ;

Sun, Jingyu ;

Ma, Donglin ;

Li, Qiucheng ;

Gao, Teng ;

Gao, Yabo ;

Cheng, Zhihai ;

Qiu, Xiaohui ;

Fang, Ying ;

Zhang, Yanfeng ;

Liu, Zhongfan .

NANO LETTERS, 2014, 14 (11) :6342-6347

[22]

Liu Z, 2013, NAT NANOTECHNOL, V8, P119, DOI [10.1038/nnano.2012.256, 10.1038/NNANO.2012.256]

[23] Atomically Thin MoS2: A New Direct-Gap Semiconductor [J].

Mak, Kin Fai ;

Lee, Changgu ;

Hone, James ;

Shan, Jie ;

Heinz, Tony F. .

PHYSICAL REVIEW LETTERS, 2010, 105 (13)

[24]

Mak KF, 2012, NAT NANOTECHNOL, V7, P494, DOI [10.1038/nnano.2012.96, 10.1038/NNANO.2012.96]

[25] BAND STRUCTURES OF TRANSITION-METAL-DICHALCOGENIDE LAYER COMPOUNDS [J].

MATTHEIS.LF .

PHYSICAL REVIEW B, 1973, 8 (08) :3719-3740

[26] Electrical Transport Properties of Polycrystalline Monolayer Molybdenum Disulfide [J].

Najmaei, Sina ;

Amani, Matin ;

Chin, Matthew L. ;

Liu, Zheng ;

Birdwell, A. Glen ;

O'Regan, Terrance P. ;

Ajayan, Pulickel M. ;

Dubey, Madan ;

Lou, Jun .

ACS NANO, 2014, 8 (08) :7930-7937

[27] Two-dimensional atomic crystals [J].

Novoselov, KS ;

Jiang, D ;

Schedin, F ;

Booth, TJ ;

Khotkevich, VV ;

Morozov, SV ;

Geim, AK .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2005, 102 (30) :10451-10453

[28] Outstanding mechanical properties of monolayer MoS2 and its application in elastic energy storage [J].

Peng, Qing ;

De, Suvranu .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2013, 15 (44) :19427-19437

[29]

Perdew JP, 1997, PHYS REV LETT, V78, P1396, DOI 10.1103/PhysRevLett.77.3865

[30] Single-layer MoS2 transistors [J].

Radisavljevic, B. ;

Radenovic, A. ;

Brivio, J. ;

Giacometti, V. ;

Kis, A. .

NATURE NANOTECHNOLOGY, 2011, 6 (03) :147-150

← 1 2 3 4 →