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

Author(s)

Susarla, Sandhya ^[1] ; Manimunda, Praveena ^[2] ; Jaques, Ygor M. ^{[3, 4]} ; Hachtel, Jordan A. ^[5] ; Idrobo, Juan C. ^[5] ; Asif, S. A. Syed ^[2] ; Galvao, Douglas S. ^{[3, 4]} ; Tiwary, Chandra Sekhar ^{[1, 6]} ; Ajayan, Pulickel M. ^[1]

Affiliation

^[1] Rice Univ, Mat Sci & Nanoengn, Houston, TX 77005 - USA

^[2] Bruker Nano Surfaces, Minneapolis, MN 55344 - USA

^[3] State Univ Campinas UNICAMP, Dept Appl Phys, BR-13083859 Sao Paulo - Brazil

^[4] Univ Estadual Campinas, Ctr Computat Engn & Sci, BR-13083861 Sao Paulo - Brazil

^[5] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 - USA

^[6] Indian Inst Technol, Met & Mat Engn, Kharagpur 721302, W Bengal - India

• Document type: Journal article
• Source: ADVANCED MATERIALS INTERFACES; v. 6, n. 5 MAR 8 2019.
• Web of Science Citations: 0

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, MoxW(1-x) S-2. It is observed that W substitution in MoS2 causes solid-solution strengthening and increase in the Young's modulus values. Higher W content decreases failure strain for MoS2. Based on spatially resolved Raman spectroscopy and MD simulations results, a detailed model to explain failure mechanisms in MoxW(1-x) S-2 alloys is proposed. (AU)

• FAPESP's process: 16/12341-5 - Effect of Contaminants on Wettability Properties of 2D Materials
• Grantee: Ygor Morais Jaques
• Support Opportunities: Scholarships abroad - Research Internship - Doctorate
• FAPESP's process: 13/08293-7 - CCES - Center for Computational Engineering and Sciences
• Grantee: Munir Salomao Skaf
• Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC