Structural Phase Transformation in Strained Monolayer MoWSe2, Alloy

Show simple item record 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. 2018-05-15T10:46:16Z 2018-05-15T10:46:16Z 2018-04
dc.identifier.citation 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", Living Reviews in Relativity, DOI: 10.1021/acsnano.8b00248, vol. 12, no. 4, pp. 3468-3476, Apr. 2018. en_US
dc.identifier.issn 1433-8351
dc.description.abstract Two-dimensional (2D) materials exhibit different mechanical properties from their bulk counterparts owing to their monolayer atomic thickness. Here, 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. 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.
dc.description.statementofresponsibility by Amey Apte, Vidya Kochat, Pankaj Rajak, Aravind Krishnamoorthy , Praveena Manimunda , Jordan A. Hachtel, Juan Carlos Idrobo, Syed Asif Syed Amanulla, Priya Vashishta , Aiichiro Nakano , Rajiv K. Kalia, Chandra Sekhar Tiwary and Pulickel M. Ajayan
dc.format.extent vol. 12, no. 4, pp. 3468-3476
dc.language.iso en en_US
dc.publisher Springer en_US
dc.subject mechanical straining en_US
dc.subject molecular dynamics simulations en_US
dc.subject Raman spectroscopy en_US
dc.subject transition-metal dichalcogenide en_US
dc.subject two-dimensional materials en_US
dc.title Structural Phase Transformation in Strained Monolayer MoWSe2, Alloy en_US
dc.type Article en_US
dc.relation.journal ACS Nano

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