Structural Phase Transformation in Strained Monolayer MoWSe2 Alloy

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.

doi:10.1021/acsnano.8b00248

Title: Structural Phase Transformation in Strained Monolayer MoWSe₂ Alloy

Journal Article · 26 February 2018 · ACS Nano

DOI: https://doi.org/10.1021/acsnano.8b00248 · OSTI ID:1460185

Apte, Amey ^[1];

^[1]; Rajak, Pankaj ^[2];

^[2];

^[3]; Hachtel, Jordan A. ^[4]; Idrobo, Juan Carlos ^[4]; Syed Amanulla, Syed Asif ^[3];

^[2];

^[2]; Kalia, Rajiv K. ^[2];

^[5]; Ajayan, Pulickel M. ^[1]

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

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 A_1g 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.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Univ. of Southern California, Los Angeles, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725; SC0014607

OSTI ID:: 1460185

Journal Information:: ACS Nano, Vol. 12, Issue 4; ISSN 1936-0851

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 48 works

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