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Title: Deformation Mechanisms of Vertically Stacked WS 2/MoS 2 Heterostructures: The Role of Interfaces

Abstract

Here, the mechanical and optical properties generated due to the stacking of different atomically thin materials have made it possible to tune and engineer these materials for next-generation electronics. The understanding of the interlayer interactions in such stacked structures is of fundamental interest for structure and property correlation. Here, a combined approach of in situ Raman spectroscopy and mechanical straining along with molecular dynamics (MD) simulations has been used to probe one such interface, namely, the WS 2/MoS 2 heterostructure. Vertical heterostructures on poly(methyl methacrylate), when flexed, showed signs of decoupling at 1.2% strain. Theoretical calculations showed strain-induced stacking changes at 1.75% strain. The sliding characteristics of layers were also investigated using scanning probe microscopy based nanoscratch testing, and the results are further supported by MD simulations. The present study could be used to design future optoelectronic devices based on WS 2/MoS 2 heterostructures.

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [4];  [2];  [5]; ORCiD logo [6];  [1]
  1. Rice Univ., Houston, TX (United States)
  2. Bruker Nano Surfaces, Minneapolis, MN (United States)
  3. Rice Univ., Houston, TX (United States); Univ. of Campinas - UNICAMP, Sao Paulo (Brazil)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  5. Univ. of Campinas - UNICAMP, Sao Paulo (Brazil)
  6. Rice Univ., Houston, TX (United States); Indian Institute of Technology, Gandhinagar (India)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1494018
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article: 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:
fracture; in situ Raman; molecular dynamics simulation; strain effects; vertical heterostructure

Citation Formats

Susarla, Sandhya, Manimunda, Praveena, Jaques, Ygor Morais, Hachtel, Jordan A., Idrobo, Juan Carlos, Syed Amnulla, Syed Asif, Galvão, Douglas Soares, Tiwary, Chandra Sekhar, and Ajayan, Pulickel M.. Deformation Mechanisms of Vertically Stacked WS2/MoS2 Heterostructures: The Role of Interfaces. United States: N. p., 2018. Web. doi:10.1021/acsnano.8b01786.
Susarla, Sandhya, Manimunda, Praveena, Jaques, Ygor Morais, Hachtel, Jordan A., Idrobo, Juan Carlos, Syed Amnulla, Syed Asif, Galvão, Douglas Soares, Tiwary, Chandra Sekhar, & Ajayan, Pulickel M.. Deformation Mechanisms of Vertically Stacked WS2/MoS2 Heterostructures: The Role of Interfaces. United States. doi:10.1021/acsnano.8b01786.
Susarla, Sandhya, Manimunda, Praveena, Jaques, Ygor Morais, Hachtel, Jordan A., Idrobo, Juan Carlos, Syed Amnulla, Syed Asif, Galvão, Douglas Soares, Tiwary, Chandra Sekhar, and Ajayan, Pulickel M.. Thu . "Deformation Mechanisms of Vertically Stacked WS2/MoS2 Heterostructures: The Role of Interfaces". United States. doi:10.1021/acsnano.8b01786.
@article{osti_1494018,
title = {Deformation Mechanisms of Vertically Stacked WS2/MoS2 Heterostructures: The Role of Interfaces},
author = {Susarla, Sandhya and Manimunda, Praveena and Jaques, Ygor Morais and Hachtel, Jordan A. and Idrobo, Juan Carlos and Syed Amnulla, Syed Asif and Galvão, Douglas Soares and Tiwary, Chandra Sekhar and Ajayan, Pulickel M.},
abstractNote = {Here, the mechanical and optical properties generated due to the stacking of different atomically thin materials have made it possible to tune and engineer these materials for next-generation electronics. The understanding of the interlayer interactions in such stacked structures is of fundamental interest for structure and property correlation. Here, a combined approach of in situ Raman spectroscopy and mechanical straining along with molecular dynamics (MD) simulations has been used to probe one such interface, namely, the WS2/MoS2 heterostructure. Vertical heterostructures on poly(methyl methacrylate), when flexed, showed signs of decoupling at 1.2% strain. Theoretical calculations showed strain-induced stacking changes at 1.75% strain. The sliding characteristics of layers were also investigated using scanning probe microscopy based nanoscratch testing, and the results are further supported by MD simulations. The present study could be used to design future optoelectronic devices based on WS2/MoS2 heterostructures.},
doi = {10.1021/acsnano.8b01786},
journal = {ACS Nano},
number = 4,
volume = 12,
place = {United States},
year = {Thu Apr 05 00:00:00 EDT 2018},
month = {Thu Apr 05 00:00:00 EDT 2018}
}

Journal Article:
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