Structural Phase Transformation in Strained Monolayer MoWSe2 Alloy
Abstract
Two-dimensional (2D) materials exhibit different mechanical properties from their bulk counterparts owing to their monolayer atomic thickness. In this paper, we have examined the mechanical behavior of 2D molybdenum tungsten diselenide (MoWSe2) precipitation alloy grown using chemical vapor deposition and composed of numerous nanoscopic MoSe2 and WSe2 regions. Applying a bending strain blue-shifted the MoSe2 and WSe2 A1g Raman modes with the stress concentrated near the precipitate interfaces predominantly affecting the WSe2 modes. In situ local Raman measurements suggested that the crack propagated primarily thorough MoSe2-rich regions in the monolayer alloy. Molecular dynamics (MD) simulations were performed to study crack propagation in an MoSe2 monolayer containing nanoscopic WSe2 regions akin to the experiment. Raman spectra calculated from MD trajectories of crack propagation confirmed the emergence of intermediate peaks in the strained monolayer alloy, mirroring experimental results. The simulations revealed that the stress buildup around the crack tip caused an irreversible structural transformation from the 2H to 1T phase both in the MoSe2 matrix and WSe2 patches. This was corroborated by high-angle annular dark-field images. Finally, crack branching and subsequent healing of a crack branch were also observed in WSe2, indicating the increased toughness and crack propagation resistance of the alloyedmore »
- Authors:
-
[1];
[2];
[3];
[2];
[2];
[5];
- Rice Univ., Houston, TX (United States). Dept. of Materials Science and Nano Engineering
- Univ. of Southern California, Los Angeles, CA (United States). Collaboratory for Advanced Computing and Simulations. Dept. of Physics and Astronomy. Dept. of Computer Science. Dept. of Chemical Engineering and Materials Science. Dept. of Biological Sciences
- Bruker Nano Surfaces, Eden Prairie, MN (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science
- Rice Univ., Houston, TX (United States). Dept. of Materials Science and Nano Engineering; Indian Inst. of Technology (IIT), Gandhinagar (India). Materials Science and Engineering
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Univ. of Southern California, Los Angeles, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1460185
- Grant/Contract Number:
- AC05-00OR22725; SC0014607
- Resource Type:
- Accepted Manuscript
- Journal Name:
- ACS Nano
- Additional Journal Information:
- Journal Volume: 12; Journal Issue: 4; Journal ID: ISSN 1936-0851
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; mechanical straining; molecular dynamics simulations; Raman spectroscopy; transition-metal dichalcogenide; two-dimensional materials
Citation Formats
Apte, Amey, Kochat, Vidya, Rajak, Pankaj, Krishnamoorthy, Aravind, Manimunda, Praveena, Hachtel, Jordan A., Idrobo, Juan Carlos, Syed Amanulla, Syed Asif, Vashishta, Priya, Nakano, Aiichiro, Kalia, Rajiv K., Tiwary, Chandra Sekhar, and Ajayan, Pulickel M. Structural Phase Transformation in Strained Monolayer MoWSe2 Alloy. United States: N. p., 2018.
Web. doi:10.1021/acsnano.8b00248.
Apte, Amey, Kochat, Vidya, Rajak, Pankaj, Krishnamoorthy, Aravind, Manimunda, Praveena, Hachtel, Jordan A., Idrobo, Juan Carlos, Syed Amanulla, Syed Asif, Vashishta, Priya, Nakano, Aiichiro, Kalia, Rajiv K., Tiwary, Chandra Sekhar, & Ajayan, Pulickel M. Structural Phase Transformation in Strained Monolayer MoWSe2 Alloy. United States. https://doi.org/10.1021/acsnano.8b00248
Apte, Amey, Kochat, Vidya, Rajak, Pankaj, Krishnamoorthy, Aravind, Manimunda, Praveena, Hachtel, Jordan A., Idrobo, Juan Carlos, Syed Amanulla, Syed Asif, Vashishta, Priya, Nakano, Aiichiro, Kalia, Rajiv K., Tiwary, Chandra Sekhar, and Ajayan, Pulickel M. Mon .
"Structural Phase Transformation in Strained Monolayer MoWSe2 Alloy". United States. https://doi.org/10.1021/acsnano.8b00248. https://www.osti.gov/servlets/purl/1460185.
@article{osti_1460185,
title = {Structural Phase Transformation in Strained Monolayer MoWSe2 Alloy},
author = {Apte, Amey and Kochat, Vidya and Rajak, Pankaj and Krishnamoorthy, Aravind and Manimunda, Praveena and Hachtel, Jordan A. and Idrobo, Juan Carlos and Syed Amanulla, Syed Asif and Vashishta, Priya and Nakano, Aiichiro and Kalia, Rajiv K. and Tiwary, Chandra Sekhar and Ajayan, Pulickel M.},
abstractNote = {Two-dimensional (2D) materials exhibit different mechanical properties from their bulk counterparts owing to their monolayer atomic thickness. In this paper, we have examined the mechanical behavior of 2D molybdenum tungsten diselenide (MoWSe2) precipitation alloy grown using chemical vapor deposition and composed of numerous nanoscopic MoSe2 and WSe2 regions. Applying a bending strain blue-shifted the MoSe2 and WSe2 A1g Raman modes with the stress concentrated near the precipitate interfaces predominantly affecting the WSe2 modes. In situ local Raman measurements suggested that the crack propagated primarily thorough MoSe2-rich regions in the monolayer alloy. Molecular dynamics (MD) simulations were performed to study crack propagation in an MoSe2 monolayer containing nanoscopic WSe2 regions akin to the experiment. Raman spectra calculated from MD trajectories of crack propagation confirmed the emergence of intermediate peaks in the strained monolayer alloy, mirroring experimental results. The simulations revealed that the stress buildup around the crack tip caused an irreversible structural transformation from the 2H to 1T phase both in the MoSe2 matrix and WSe2 patches. This was corroborated by high-angle annular dark-field images. Finally, crack branching and subsequent healing of a crack branch were also observed in WSe2, indicating the increased toughness and crack propagation resistance of the alloyed 2D MoWSe2 over the unalloyed counterparts.},
doi = {10.1021/acsnano.8b00248},
journal = {ACS Nano},
number = 4,
volume = 12,
place = {United States},
year = {Mon Feb 26 00:00:00 EST 2018},
month = {Mon Feb 26 00:00:00 EST 2018}
}
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Figures / Tables:
Figure 1: Growth & characterization of 2D MoWSe2 alloy: (a) Schematic of CVD growth (b, c) Optical image of 2D MoxW1-xSe2 alloy grown on sapphire (d) AFM image showing thickness of ~ 0.7 nm (e) Raman spectrum (f) Raman maps and (g) PL spectrum of the alloy showing characteristic MoSe2more »
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Works referenced in this record:
Two-dimensional atomic crystals
journal, July 2005
- Novoselov, K. S.; Jiang, D.; Schedin, F.
- Proceedings of the National Academy of Sciences, Vol. 102, Issue 30, p. 10451-10453
Synthesis of Large-Area Highly Crystalline Monolayer Molybdenum Disulfide with Tunable Grain Size in a H 2 Atmosphere
journal, September 2015
- Feng, Yulin; Zhang, Kailiang; Wang, Fang
- ACS Applied Materials & Interfaces, Vol. 7, Issue 40
Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene
journal, March 2013
- Butler, Sheneve Z.; Hollen, Shawna M.; Cao, Linyou
- ACS Nano, Vol. 7, Issue 4, p. 2898-2926
Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
journal, November 2012
- Wang, Qing Hua; Kalantar-Zadeh, Kourosh; Kis, Andras
- Nature Nanotechnology, Vol. 7, Issue 11, p. 699-712
Single-layer MoS2 transistors
journal, January 2011
- Radisavljevic, B.; Radenovic, A.; Brivio, J.
- Nature Nanotechnology, Vol. 6, Issue 3, p. 147-150
High-mobility three-atom-thick semiconducting films with wafer-scale homogeneity
journal, April 2015
- Kang, Kibum; Xie, Saien; Huang, Lujie
- Nature, Vol. 520, Issue 7549
Stretching and Breaking of Ultrathin MoS 2
journal, November 2011
- Bertolazzi, Simone; Brivio, Jacopo; Kis, Andras
- ACS Nano, Vol. 5, Issue 12
Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene
journal, July 2008
- Lee, C.; Wei, X.; Kysar, J. W.
- Science, Vol. 321, Issue 5887, p. 385-388
A review on mechanics and mechanical properties of 2D materials—Graphene and beyond
journal, May 2017
- Akinwande, Deji; Brennan, Christopher J.; Bunch, J. Scott
- Extreme Mechanics Letters, Vol. 13
Elastic Properties of Chemical-Vapor-Deposited Monolayer MoS 2 , WS 2 , and Their Bilayer Heterostructures
journal, August 2014
- Liu, Kai; Yan, Qimin; Chen, Michelle
- Nano Letters, Vol. 14, Issue 9
Precise and reversible band gap tuning in single-layer MoSe 2 by uniaxial strain
journal, January 2016
- Island, Joshua O.; Kuc, Agnieszka; Diependaal, Erik H.
- Nanoscale, Vol. 8, Issue 5
Anomalous Lattice Vibrations of Single- and Few-Layer MoS 2
journal, March 2010
- Lee, Changgu; Yan, Hugen; Brus, Louis E.
- ACS Nano, Vol. 4, Issue 5
Chemical Vapor Deposition Growth of Crystalline Monolayer MoSe2
journal, April 2014
- Wang, Xingli; Gong, Yongji; Shi, Gang
- ACS Nano, Vol. 8, Issue 5, p. 5125-5131
Visibility of dichalcogenide nanolayers
journal, February 2011
- Benameur, M. M.; Radisavljevic, B.; Héron, J. S.
- Nanotechnology, Vol. 22, Issue 12
Chemical Vapor Deposition Growth of Monolayer WSe 2 with Tunable Device Characteristics and Growth Mechanism Study
journal, May 2015
- Liu, Bilu; Fathi, Mohammad; Chen, Liang
- ACS Nano, Vol. 9, Issue 6
Two-Dimensional Molybdenum Tungsten Diselenide Alloys: Photoluminescence, Raman Scattering, and Electrical Transport
journal, June 2014
- Zhang, Mei; Wu, Juanxia; Zhu, Yiming
- ACS Nano, Vol. 8, Issue 7
Two-Step Growth of Two-Dimensional WSe 2 /MoSe 2 Heterostructures
journal, August 2015
- Gong, Yongji; Lei, Sidong; Ye, Gonglan
- Nano Letters, Vol. 15, Issue 9
Lateral heterojunctions within monolayer MoSe2–WSe2 semiconductors
journal, August 2014
- Huang, Chunming; Wu, Sanfeng; Sanchez, Ana M.
- Nature Materials, Vol. 13, Issue 12, p. 1096-1101
Room Temperature Semiconductor–Metal Transition of MoTe 2 Thin Films Engineered by Strain
journal, December 2015
- Song, Seunghyun; Keum, Dong Hoon; Cho, Suyeon
- Nano Letters, Vol. 16, Issue 1
Structural phase transitions in two-dimensional Mo- and W-dichalcogenide monolayers
journal, July 2014
- Duerloo, Karel-Alexander N.; Li, Yao; Reed, Evan J.
- Nature Communications, Vol. 5, Issue 1
Vibrational spectra in fluoride crystals and glasses at normal and high pressures by computer simulation
journal, January 1992
- Boulard, B.; Kieffer, J.; Phifer, C. C.
- Journal of Non-Crystalline Solids, Vol. 140
Atomic mechanism of the semiconducting-to-metallic phase transition in single-layered MoS2
journal, April 2014
- Lin, Yung-Chang; Dumcenco, Dumitru O.; Huang, Ying-Sheng
- Nature Nanotechnology, Vol. 9, Issue 5
Molecular-dynamics study of ductile and brittle fracture in model noncrystalline solids
journal, September 1999
- Falk, M. L.
- Physical Review B, Vol. 60, Issue 10
Structure of rings in vitreous
journal, February 1993
- Rino, José P.; Ebbsjö, Ingvar; Kalia, Rajiv K.
- Physical Review B, Vol. 47, Issue 6
An electron microscope for the aberration-corrected era
journal, February 2008
- Krivanek, O. L.; Corbin, G. J.; Dellby, N.
- Ultramicroscopy, Vol. 108, Issue 3
Works referencing / citing this record:
Recent Progress in CVD Growth of 2D Transition Metal Dichalcogenides and Related Heterostructures
journal, August 2019
- Zhang, Yu; Yao, Yuyu; Sendeku, Marshet Getaye
- Advanced Materials, Vol. 31, Issue 41
Recent progress of TMD nanomaterials: phase transitions and applications
journal, January 2020
- Huang, H. H.; Fan, Xiaofeng; Singh, David J.
- Nanoscale, Vol. 12, Issue 3
Crystallographic-orientation dependent Li ion migration and reactions in layered MoSe 2
journal, May 2019
- Li, Xing; Sun, Mei; Cheng, Shaobo
- 2D Materials, Vol. 6, Issue 3
Atomic‐Level Customization of 4 in. Transition Metal Dichalcogenide Multilayer Alloys for Industrial Applications
journal, May 2019
- Lim, Yi Rang; Han, Jin Kyu; Yoon, Yeoheung
- Advanced Materials, Vol. 31, Issue 29
Strain Engineering of 2D Materials: Issues and Opportunities at the Interface
journal, January 2019
- Dai, Zhaohe; Liu, Luqi; Zhang, Zhong
- Advanced Materials, Vol. 31, Issue 45
Morphological transformation of the process zone at the tip of a propagating crack. I. Simulation
journal, March 2020
- Boulbitch, Alexei; Korzhenevskii, Alexander L.
- Physical Review E, Vol. 101, Issue 3
Neural Network Analysis of Dynamic Fracture in a Layered Material
journal, January 2019
- Rajak, Pankaj; Kalia, Rajiv K.; Nakano, Aiichiro
- MRS Advances, Vol. 4, Issue 19
Misfit Strain-Induced Buckling for Transition-Metal Dichalcogenide Lateral Heterostructures: A Molecular Dynamics Study
journal, August 2018
- Jiang, Jin-Wu
- Acta Mechanica Solida Sinica, Vol. 32, Issue 1
Strain engineering in functional 2-dimensional materials
journal, February 2019
- Sun, Yufei; Liu, Kai
- Journal of Applied Physics, Vol. 125, Issue 8
Transport and Photoelectric Properties of 2D Silicene/MX2 (M = Mo, W; X = S, Se) Heterostructures
journal, October 2018
- Wang, Yuxiu; qi, Rui; Jiang, Yingjie
- ACS Omega, Vol. 3, Issue 10
Figures / Tables found in this record:
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