Directional motion is one of the most fundamental motions in the nature, which is driven by specific types of gradients. The transition metal dichalcogenides graded lateral heterostructure is a valuable semiconductor playing crucial roles in electronic and optoelectronic devices. This lateral heterostructure has a graded composition and is thus a promising candidate to drive possible directional motions. Here, we perform molecular dynamics simulations to demonstrate the directional motion of a graphene sheet on top of the MoS2–WSe2 graded lateral heterostructure. It is quite interesting that the direction for the diffusion is sensitive to the graphene sheet’s initial location, which is in two different regions. The graphene sheet diffuses in opposite directions for the initial location that falls in different regions. We derive an analytic formula for the interlayer coupling potential, which discloses the underlying mechanism for the dependence of the directional motion on the initial location of the graphene sheet. These results shall be varifiable by present experimental set ups and may be valuable for the application of the transition metal dichalcogenides graded lateral heterostructure in practical electronic devices.
Issue Section:
Research Papers
References
1.
Huang
, C.
, Wu
, S.
, Sanchez
, A. M.
, Peters
, J. J.
, Beanland
, R.
, Ross
, J. S.
, Rivera
, P.
, Yao
, W.
, Cobden
, D. H.
, and Xu
, X.
, 2014
, “Lateral Heterojunctions Within Monolayer MoSe2–WSe2 Semiconductors
,” Nat. Mater.
, 13
(12
), pp. 1096
–1101
. 2.
Gong
, Y.
, Lin
, J.
, Wang
, X.
, Shi
, G.
, Lei
, S.
, Lin
, Z.
, Zou
, X.
, Ye
, G.
, Vajtai
, R.
, Yakobson
, B. I.
, and Terrones
, H.
, 2014
, “Vertical and In-Plane Heterostructures From WS2/Mos2 Monolayers
,” Nat. Mater.
, 13
(12
), pp. 1135
–1142
. 3.
Zhang
, X.-Q.
, Lin
, C.-H.
, Tseng
, Y.-W.
, Huang
, K.-H.
, and Lee
, Y.-H.
, 2014
, “Synthesis of Lateral Heterostructures of Semiconducting Atomic Layers
,” Nano Lett.
, 15
(1
), pp. 410
–415
. 4.
Duan
, X.
, Wang
, C.
, Shaw
, J. C.
, Cheng
, R.
, Chen
, Y.
, Li
, H.
, Wu
, X.
, Tang
, Y.
, Zhang
, Q.
, Pan
, A.
, and Jiang
, J.
, 2014
, “Lateral Epitaxial Growth of Two-Dimensional Layered Semiconductor Heterojunctions
,” Nat. Nanotechnol.
, 9
(12
), pp. 1024
–1030
. 5.
Li
, M.-Y.
, Shi
, Y.
, Cheng
, C.-C.
, Lu
, L.-S.
, Lin
, Y.-C.
, Tang
, H.-L.
, Tsai
, M.-L.
, Chu
, C.-W.
, Wei
, K.-H.
, He
, J.-H.
, and Chang
, W. H.
, 2015
, “Epitaxial Growth of a Monolayer WSe2–MoS2 Lateral Pn Junction With an Atomically Sharp Interface
,” Science
, 349
(6247
), pp. 524
–528
. 6.
Chen
, K.
, Wan
, X.
, Wen
, J.
, Xie
, W.
, Kang
, Z.
, Zeng
, X.
, Chen
, H.
, and Xu
, J.-B.
, 2015
, “Electronic Properties of MoS2–WS2 Heterostructures Synthesized With Two-Step Lateral Epitaxial Strategy
,” ACS Nano
, 9
(10
), pp. 9868
–9876
. 7.
Chen
, K.
, Wan
, X.
, Xie
, W.
, Wen
, J.
, Kang
, Z.
, Zeng
, X.
, Chen
, H.
, and Xu
, J.
, 2015
, “Lateral Built-in Potential of Monolayer MoS2–WS2 In-Plane Heterostructures by a Shortcut Growth Strategy
,” Adv. Mater.
, 27
(41
), pp. 6431
–6437
. 8.
Gong
, Y.
, Lei
, S.
, Ye
, G.
, Li
, B.
, He
, Y.
, Keyshar
, K.
, Zhang
, X.
, Wang
, Q.
, Lou
, J.
, Liu
, Z.
, and Vajtai
, R.
, 2015
, “Two-Step Growth of Two-Dimensional WSe2/MoSe2 Heterostructures
,” Nano Lett.
, 15
(9
), pp. 6135
–6141
. 9.
Chen
, J.
, Zhou
, W.
, Tang
, W.
, Tian
, B.
, Zhao
, X.
, Xu
, H.
, Liu
, Y.
, Geng
, D.
, Tan
, S. J. R.
, Fu
, W.
, and Loh
, K. P.
, 2016
, “Lateral Epitaxy of Atomically Sharp WSe2/WS2 Heterojunctions on Silicon Dioxide Substrates
,” Chem. Mater.
, 28
(20
), pp. 7194
–7197
. 10.
Ling
, X.
, Lin
, Y.
, Ma
, Q.
, Wang
, Z.
, Song
, Y.
, Yu
, L.
, Huang
, S.
, Fang
, W.
, Zhang
, X.
, Hsu
, A. L.
, and Bie
, Y.
, 2016
, “Parallel Stitching of 2D Materials
,” Adv. Mater.
, 28
(12
), pp. 2322
–2329
. 11.
Manimunda
, P.
, Nakanishi
, Y.
, Jaques
, Y.
, Susarla
, S.
, Woellner
, C.
, Bhowmick
, S.
, Asif
, S.
, Galvao
, D.
, Tiwary
, C.
, and Ajayan
, P.
, 2017
, “Nanoscale Deformation and Friction Characteristics of Atomically Thin WSe2 and Heterostructure Using Nanoscratch and Raman Spectroscopy
,” 2D Mater.
, 4
(4
), p. 045005
. 12.
Zhang
, Z.
, Chen
, P.
, Duan
, X.
, Zang
, K.
, Luo
, J.
, and Duan
, X.
, 2017
, “Robust Epitaxial Growth of Two-Dimensional Heterostructures, Multiheterostructures, and Superlattices
,” Science
, 357
(6353
), pp. 788
–792
. 13.
Chen
, X.
, Qiu
, Y.
, Yang
, H.
, Liu
, G.
, Zheng
, W.
, Feng
, W.
, Cao
, W.
, Hu
, W.
, and Hu
, P.
, 2017
, “In-Plane Mosaic Potential Growth of Large-Area 2D Layered Semiconductors MoS2–MoSe2 Lateral Heterostructures and Photodetector Application
,” ACS Appl. Mater. Interfaces
, 9
(2
), pp. 1684
–1691
. 14.
Li
, M.-Y.
, Pu
, J.
, Huang
, J.-K.
, Miyauchi
, Y.
, Matsuda
, K.
, Takenobu
, T.
, and Li
, L.-J.
, 2018
, “Self-Aligned and Scalable Growth of Monolayer WSe2–MoS2 Lateral Heterojunctions
,” Adv. Funct. Mater.
, 28
(17
), p. 1706860
. 15.
Sahoo
, P. K.
, Memaran
, S.
, Xin
, Y.
, Balicas
, L.
, and Gutiérrez
, H. R.
, 2018
, “One-Pot Growth of Two-Dimensional Lateral Heterostructures Via Sequential Edge-Epitaxy
,” Nature
, 553
(7686
), pp. 63
–67
. 16.
Chang
, L.
, Du
, Z.
, Zhang
, W.
, Zhu
, Y.
, and Xu
, G.
, 2017
, “Additive Manufacturing-Oriented Design of Graded Lattice Structures Through Explicit Topology Optimization
,” J. Appl. Mech.
, 84
(8
), p. 081008
. 17.
Liu
, X.
, Wu
, J.
, Yu
, W.
, Chen
, L.
, Huang
, Z.
, Jiang
, H.
, He
, J.
, Liu
, Q.
, Lu
, Y.
, Zhu
, D.
, and Liu
, W.
, 2017
, “Monolayer WxMo1−xS2 Grown by Atmospheric Pressure Chemical Vapor Deposition: Bandgap Engineering and Field Effect Transistors
,” Adv. Funct. Mater.
, 27
(13
), p. 1606469
. 18.
Shi
, Z.
, Zhang
, Q.
, and Schwingenschlögl
, U.
, 2018
, “Alloying as a Route to Monolayer Transition Metal Dichalcogenides With Improved Optoelectronic Performance: Mo(S1−xSex)2 and Mo1−yWyS2
,” ACS Appl. Energy Mater.
, 1
(5
), pp. 2208
–2214
. 19.
Wei
, W.
, Dai
, Y.
, Niu
, C.
, and Huang
, B.
, 2015
, “Controlling the Electronic Structures and Properties of In-Plane Transition-Metal Dichalcogenides Quantum Wells
,” Sci. Rep.
, 5
, p. 17578
. 20.
Wei
, W.
, Dai
, Y.
, Sun
, Q.
, Yin
, N.
, Han
, S.
, Huang
, B.
, and Jacob
, T.
, 2015
, “Electronic Structures of In-Plane Two-Dimensional Transition-Metal Dichalcogenide Heterostructures
,” Phys. Chem. Chem. Phys.
, 17
(43
), pp. 29380
–29386
. 21.
Guo
, Y.
, and Robertson
, J.
, 2016
, “Band Engineering in Transition Metal Dichalcogenides: Stacked Versus Lateral Heterostructures
,” Appl. Phys. Lett.
, 108
(23
), p. 233104
. 22.
Wei
, W.
, Dai
, Y.
, and Huang
, B.
, 2016
, “In-Plane Interfacing Effects of Two-Dimensional Transition-Metal Dichalcogenide Heterostructures
,” Phys. Chem. Chem. Phys.
, 18
(23
), pp. 15632
–15638
. 23.
Zhang
, J.
, Xie
, W.
, Zhao
, J.
, and Zhang
, S.
, 2016
, “Band Alignment of Two-Dimensional Lateral Heterostructures
,” 2D Mater.
, 4
(1
), p. 015038
. 24.
Wei
, W.
, Dai
, Y.
, and Huang
, B.
, 2016
, “Straintronics in Two-Dimensional In-Plane Heterostructures of Transition-Metal Dichalcogenides
,” Phys. Chem. Chem. Phys.
, 19
(1
), pp. 663
–672
. 25.
Kang
, J.
, Sahin
, H.
, and Peeters
, F. M.
, 2015
, “Tuning Carrier Confinement in the Mos2/WS2 Lateral Heterostructure
,” J. Phys. Chem. C
, 119
(17
), pp. 9580
–9586
. 26.
An
, Y.
, Zhang
, M.
, Wu
, D.
, Fu
, Z.
, and Wang
, K.
, 2016
, “The Electronic Transport Properties of Transition-Metal Dichalcogenide Lateral Heterojunctions
,” J. Mater. Chem. C
, 4
(46
), pp. 10962
–10966
. 27.
Yang
, Z.
, Pan
, J.
, Liu
, Q.
, Wu
, N.
, Hu
, M.
, and Ouyang
, F.
, 2017
, “Electronic Structures and Transport Properties of a Mos2–NbS2 Nanoribbon Lateral Heterostructure
,” Phys. Chem. Chem. Phys.
, 19
(2
), pp. 1303
–1310
. 28.
Cao
, Z.
, Harb
, M.
, Lardhi
, S.
, and Cavallo
, L.
, 2017
, “Impact of Interfacial Defects on the Properties of Monolayer Transition Metal Dichalcogenide Lateral Heterojunctions
,” J. Phys. Chem. Lett.
, 8
(7
), pp. 1664
–1669
. 29.
Jiang
, J.-W.
, 2019
, “Misfit Strain-Induced Buckling for Transition-Metal Dichalcogenide Lateral Heterostructures: A Molecular Dynamics Study
,” Acta Mech. Solida Sinica
, 32
(1
), pp. 17
–28
. 30.
Mahjouri-Samani
, M.
, Lin
, M.-W.
, Wang
, K.
, Lupini
, A. R.
, Lee
, J.
, Basile
, L.
, Boulesbaa
, A.
, Rouleau
, C. M.
, Puretzky
, A. A.
, Ivanov
, I. N.
, and Xiao
, K.
, 2015
, “Patterned Arrays of Lateral Heterojunctions Within Monolayer Two-Dimensional Semiconductors
,” Nat. Commun.
, 6
, p. 7749
. 31.
Li
, H.
, Li
, P.
, Huang
, J.-K.
, Li
, M.-Y.
, Yang
, C.-W.
, Shi
, Y.
, Zhang
, X.-X.
, and Li
, L.-J.
, 2016
, “Laterally Stitched Heterostructures of Transition Metal Dichalcogenide: Chemical Vapor Deposition Growth on Lithographically Patterned Area
,” ACS Nano
, 10
(11
), pp. 10516
–10523
. 32.
Barnard
, A. S.
, 2015
, “Materials Science: Nanoscale Locomotion Without Fuel
,” Nature
, 519
(7541
), pp. 37
–38
. 33.
Fennimore
, A.
, Yuzvinsky
, T.
, Han
, W.-Q.
, Fuhrer
, M.
, Cumings
, J.
, and Zettl
, A.
, 2003
, “Rotational Actuators Based on Carbon Nanotubes
,” Nature
, 424
(6947
), pp. 408
–410
. 34.
Zhao
, J.
, Huang
, J.-Q.
, Wei
, F.
, and Zhu
, J.
, 2010
, “Mass Transportation Mechanism in Electric-biased Carbon Nanotubes
,” Nano Lett.
, 10
(11
), pp. 4309
–4315
. 35.
Schoen
, P. A.
, Walther
, J. H.
, Arcidiacono
, S.
, Poulikakos
, D.
, and Koumoutsakos
, P.
, 2006
, “Nanoparticle Traffic on Helical Tracks: Thermophoretic Mass Transport Through Carbon Nanotubes
,” Nano Lett.
, 6
(9
), pp. 1910
–1917
. 36.
Lo
, C.-M.
, Wang
, H.-B.
, Dembo
, M.
, and li Wang
, Y.
, 2000
, “Cell Movement Is Guided by the Rigidity of the Substrate
,” Biophys. J.
, 79
(1
), pp. 144
–152
. 37.
Chang
, T.
, Zhang
, H.
, Guo
, Z.
, Guo
, X.
, and Gao
, H.
, 2015
, “Nanoscale Directional Motion Towards Regions of Stiffness
,” Phys. Rev. Lett.
, 114
, p. 015504
. 38.
Hong
, G.
, Zhang
, H.
, Guo
, Z.
, Chang
, T.
, and Chen
, L. Q.
, 2017
, “Mechanics of a Graphene Flake Driven by the Stiffness Jump on a Graphene Substrate
,” J. Appl. Mech.
, 84
(8
), p. 081007
. 39.
Stuart
, S. J.
, Tutein
, A. B.
, and Harrison
, J. A.
, 2000
, “A Reactive Potential for Hydrocarbons With Intermolecular Interactions
,” J. Chem. Phys.
, 112
(14
), pp. 6472
–6486
. 40.
Stillinger
, F. H.
, and Weber
, T. A.
, 1985
, “Computer Simulation of Local Order in Condensed Phases of Silicon
,” Phys. Rev. B
, 31
(8
), pp. 5262
–5271
. 41.
Ma
, Y.
, Dai
, Y.
, Guo
, M.
, Niu
, C.
, and Huang
, B.
, 2011
, “Graphene Adhesion on MoS2 Monolayer: an Ab Initio Study
,” Nanoscale
, 3
(9
), pp. 3883
–3887
. 42.
Hong
, Y.
, Ju
, M. G.
, Zhang
, J.
, and Zeng
, X. C.
, 2018
, “Phonon Thermal Transport in a Graphene/MoSe2 Van Der Waals Heterobilayer
,” Phys. Chem. Chem. Phys.
, 20
(4
), pp. 2637
–2645
. 43.
Plimpton
, S.
, 1995
, “Fast Parallel Algorithms for Short-Range Molecular Dynamics
,” J. Comput. Phys.
, 117
, pp. 1
–19
. 44.
Stukowski
, A.
, 2009
, “Visualization and Analysis of Atomistic Simulation Data With Ovito-the Open Visualization Tool
,” Model. Simul. Mater. Sci. Eng.
, 18
(6
), pp. 2154
–2162
. 45.
Nosé
, S.
, 1984
, “A Unified Formulation of the Constant Temperature Molecular Dynamics Methods
,” J. Chem. Phys.
, 81
(1
), pp. 511
–519
. 46.
Hoover
, W. G.
, 1985
, “Canonical Dynamics: Equilibrium Phase-Space Distributions
,” Phys. Rev. A
, 31
(3
), pp. 1695
–1697
. 47.
Jiang
, L. Y.
, Huang
, Y.
, Jiang
, H.
, Ravichandran
, G.
, Gao
, H.
, Hwang
, K. C.
, and Liu
, B.
, 2006
, “A Cohesive Law for Carbon Nanotube/Polymer Interfaces Based on the Van Der Waals Force
,” J. Mech. Phys. Solids
, 54
(11
), pp. 2436
–2452
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