Strain-Induced Structural Deformation Study of 2D Mo                         x                         W                         (1-                         x                         )                          S                         2

Sandhya Susarla; Praveena Manimunda; Ygor M. Jaques; Jordan A. Hachtel; Juan C. Idrobo; S. A.Syed Asif; Douglas S. Galvão; Chandra Sekhar Tiwary; Pulickel M. Ajayan

doi:10.1002/admi.201801262

Strain-Induced Structural Deformation Study of 2D Mo _x W _(1- _x ₎ S ₂

Sandhya Susarla, Praveena Manimunda, Ygor M. Jaques, Jordan A. Hachtel, Juan C. Idrobo, S. A.Syed Asif, Douglas S. Galvão, Chandra Sekhar Tiwary, Pulickel M. Ajayan

electron Microscopy and Microanalysis

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

The possibility of tuning properties and its potential applications in the fields of optoelectronics and/or flexible electronics, has increased the demand for 2D alloys in recent times. Understanding the mechanical performance of 2D materials under extreme conditions, such as strain, stress, and fracture is essential for the reliable electronic devices based on these structures. In this study, combined molecular dynamics (MD) simulations and in situ Raman spectroscopic techniques are used to study the mechanical performance of a 2D alloy system, Mo _x W _(1- _x ₎ S ₂ . It is observed that W substitution in MoS ₂ causes solid-solution strengthening and increase in the Young's modulus values. Higher W content decreases failure strain for MoS ₂ . Based on spatially resolved Raman spectroscopy and MD simulations results, a detailed model to explain failure mechanisms in Mo _x W _(1- _x ₎ S ₂ alloys is proposed.

Original language	English
Article number	1801262
Journal	Advanced Materials Interfaces
Volume	6
Issue number	5
DOIs	https://doi.org/10.1002/admi.201801262
State	Published - Mar 8 2019

Funding

S.S., P.M., and Y.M.J. contributed equally to the work. This work was supported by FAME, one of the six centers of STARnet, a semiconductor Research Corporation program sponsored by MARCO and DARPA, São Paulo Research Foundation (FAPESP, Grant No. 2016/12341-5), and Center for Computational Engineering and Sciences at University of Campinas (FAPESP/CEPID Grant No. 2013/08293-7). The STEM part of this research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility (J.A.H. and J.C.I.). C.S.T. acknowledges SERB Ramanujan Fellowship. S.S., P.M., and Y.M.J. contributed equally to the work. This work was supported by FAME, one of the six centers of STARnet, a semiconductor Research Corporation program sponsored by MARCO and DARPA, S?o Paulo Research Foundation (FAPESP, Grant No. 2016/12341-5), and Center for Computational Engineering and Sciences at University of Campinas (FAPESP/CEPID Grant No. 2013/08293-7). The STEM part of this research was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility (J.A.H. and J.C.I.). C.S.T. acknowledges SERB Ramanujan Fellowship.

Funders	Funder number
Center for Computational Engineering and Sciences at University of Campinas
DOE Office of Science
FAME
FAPESP/CEPID	2013/08293-7
S?o Paulo Research Foundation
Defense Advanced Research Projects Agency
Microelectronics Advanced Research Corporation
Fundação de Amparo à Pesquisa do Estado de São Paulo	2016/12341-5
Science and Engineering Research Board

Keywords

Raman spectroscopy
fracture
molecular dynamics simulations
straining
transition metal dichalcogenides alloys

Access to Document

10.1002/admi.201801262

Cite this

Susarla, S., Manimunda, P., Jaques, Y. M., Hachtel, J. A., Idrobo, J. C., Asif, S. A. S., Galvão, D. S., Tiwary, C. S., & Ajayan, P. M. (2019). Strain-Induced Structural Deformation Study of 2D Mo _x W _(1- _x ₎ S ₂ Advanced Materials Interfaces, 6(5), Article 1801262. https://doi.org/10.1002/admi.201801262

Susarla, Sandhya ; Manimunda, Praveena ; Jaques, Ygor M. et al. / Strain-Induced Structural Deformation Study of 2D Mo _x W _(1- _x ₎ S ₂ In: Advanced Materials Interfaces. 2019 ; Vol. 6, No. 5.

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abstract = " The possibility of tuning properties and its potential applications in the fields of optoelectronics and/or flexible electronics, has increased the demand for 2D alloys in recent times. Understanding the mechanical performance of 2D materials under extreme conditions, such as strain, stress, and fracture is essential for the reliable electronic devices based on these structures. In this study, combined molecular dynamics (MD) simulations and in situ Raman spectroscopic techniques are used to study the mechanical performance of a 2D alloy system, Mo x W (1- x ) S 2 . It is observed that W substitution in MoS 2 causes solid-solution strengthening and increase in the Young's modulus values. Higher W content decreases failure strain for MoS 2 . Based on spatially resolved Raman spectroscopy and MD simulations results, a detailed model to explain failure mechanisms in Mo x W (1- x ) S 2 alloys is proposed.",

keywords = "Raman spectroscopy, fracture, molecular dynamics simulations, straining, transition metal dichalcogenides alloys",

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Susarla, S, Manimunda, P, Jaques, YM, Hachtel, JA, Idrobo, JC, Asif, SAS, Galvão, DS, Tiwary, CS & Ajayan, PM 2019, ' Strain-Induced Structural Deformation Study of 2D Mo _x W _(1- _x ₎ S ₂ ', Advanced Materials Interfaces, vol. 6, no. 5, 1801262. https://doi.org/10.1002/admi.201801262

Strain-Induced Structural Deformation Study of 2D Mo _x W _(1- _x ₎ S ₂ . / Susarla, Sandhya; Manimunda, Praveena; Jaques, Ygor M. et al.
In: Advanced Materials Interfaces, Vol. 6, No. 5, 1801262, 08.03.2019.

Research output: Contribution to journal › Article › peer-review

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AU - Idrobo, Juan C.

AU - Asif, S. A.Syed

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Susarla S, Manimunda P, Jaques YM, Hachtel JA, Idrobo JC, Asif SAS et al. Strain-Induced Structural Deformation Study of 2D Mo _x W _(1- _x ₎ S ₂ Advanced Materials Interfaces. 2019 Mar 8;6(5):1801262. doi: 10.1002/admi.201801262