Differences in the Mechanical Properties of Monolayer and Multilayer WSe2/MoSe2

Autor(es)

Jaques, Y. M. ^{[1, 2, 3]} ; Manimunda, P. ^[4] ; Nakanishi, Y. ^[2] ; Susarla, S. ^[2] ; Woellner, C. F. ^{[1, 2, 3]} ; Bhowmick, S. ^[4] ; Asif, S. A. S. ^[4] ; Galvao, D. S. ^{[1, 3]} ; Tiwary, C. S. ^[2] ; Ajayan, P. M. ^[2]

Afiliação do(s) autor(es)

^[1] Univ Estadual Campinas, Appl Phys Dept, BR-13083859 Campinas, SP - Brazil

^[2] Rice Univ, Mat Sci & Nanoengn, Houston, TX 77005 - USA

^[3] Univ Estadual Campinas, Ctr Computat Engn & Sci, Campinas, SP - Brazil

^[4] Bruker Nano Surfaces, Minneapolis, MN - USA

• Tipo de documento: Artigo Científico
• Fonte: MRS ADVANCES; v. 3, n. 6-7, p. 373-378, 2018.
• Citações Web of Science: 0

Resumo

Transition metal dichalcogenides are 2D structures with remarkable electronic, chemical, optical and mechanical properties. Monolayer and crystal properties of these structures have been extensively investigated, but a detailed understanding of the properties of their few-layer structures are still missing. In this work we investigated the mechanical differences between monolayer and multilayer WSe2 and MoSe2, through fully atomistic molecular dynamics simulations (MD). It was observed that single layer WSe2/MoSe2 deposited on silicon substrates have larger friction coefficients than 2, 3 and 4 layered structures. For all considered cases it is always easier to peel off and/or to fracture MoSe2 structures. These results suggest that the interactions between first layer and substrate are stronger than interlayer interactions themselves. Similar findings have been reported for other nanomaterials and it has been speculated whether this is a universal-like behavior for 2D layered materials. We have also analyzed fracture patterns. Our results show that fracture is chirality dependent with crack propagation preferentially perpendicular to W(Mo)-Se bonds and faster for zig-zag-like defects. (AU)

• Processo FAPESP: 16/12340-9 - Propriedades Estruturais e Mecânicas de Espumas Baseadas no Carbono
• Beneficiário: Cristiano Francisco Woellner
• Linha de fomento: Bolsas no Exterior - Estágio de Pesquisa - Pós-Doutorado
• Processo FAPESP: 16/12341-5 - Efeitos de Contaminantes na Molhabilidade de Materiais Bi-dimensionais
• Beneficiário: Ygor Morais Jaques
• Linha de fomento: Bolsas no Exterior - Estágio de Pesquisa - Doutorado
• Processo FAPESP: 13/08293-7 - CECC - Centro de Engenharia e Ciências Computacionais
• Beneficiário: Munir Salomao Skaf
• Linha de fomento: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs