Bending and vibration of monolayer MoS2 beams by molecular dynamics simulations

Molecular dynamics simulations based on reactive empirical bond-order potentials were conducted to investigate the bending and vibration of defect-free and defective monolayer MoS2. The effects of constrained boundary conditions and single sulfur point vacancies were concerned. Three types of boundary conditions were discussed in our work, including the simply supported boundary, the pinned-pinned boundary, and the clamped-clamped boundary. For the simply supported beam, typical linear and nonlinear elasticity responses to the lateral loading were observed, distinct from the other beams. The lower concentrations of VS defect were found to have insignificant effects on the bending and vibrational responses of the defective MoS2, despite a slight frequency drift appeared. However, higher order resonant frequencies were arisen in some monolayer MoS2 with randomly distributed VS defects.

[1]  J. Shan,et al.  High frequency MoS2 nanomechanical resonators. , 2013, ACS nano.

[2]  J. Lou,et al.  The Effect of VMoS3 Point Defect on the Elastic Properties of Monolayer MoS2 with REBO Potentials , 2016, Nanoscale Research Letters.

[3]  F. Guinea,et al.  Increasing the elastic modulus of graphene by controlled defect creation , 2014, Nature Physics.

[4]  Seunghwa Ryu,et al.  Nanoindentation cannot accurately predict the tensile strength of graphene or other 2D materials. , 2015, Nanoscale.

[5]  Hua Zhang,et al.  Fabrication of single- and multilayer MoS2 film-based field-effect transistors for sensing NO at room temperature. , 2012, Small.

[6]  Andras Kis,et al.  Stretching and breaking of ultrathin MoS2. , 2011, ACS nano.

[7]  P. Sorokin,et al.  Effect of Ultrahigh Stiffness of Defective Graphene from Atomistic Point of View. , 2015, The journal of physical chemistry letters.

[8]  J. Kysar,et al.  Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene , 2008, Science.

[9]  Jing Kong,et al.  Intrinsic structural defects in monolayer molybdenum disulfide. , 2013, Nano letters.

[10]  Zhigong Song,et al.  Geometrical effect ‘stiffens’ graphene membrane at finite vacancy concentrations , 2016 .

[11]  Junsong Yuan,et al.  Exploring atomic defects in molybdenum disulphide monolayers , 2015, Nature Communications.

[12]  Hua Zhang,et al.  Single-layer MoS2 phototransistors. , 2012, ACS nano.

[13]  Steve Plimpton,et al.  Fast parallel algorithms for short-range molecular dynamics , 1993 .

[14]  Simon Kurasch,et al.  Two-dimensional transition metal dichalcogenides under electron irradiation: defect production and doping. , 2012, Physical review letters.

[15]  Jian Zhen Ou,et al.  Biosensors Based on Two-Dimensional MoS2 , 2016 .

[16]  J. Shan,et al.  High Frequency MoS 2 Nanomechanical Resonators , 2013 .

[17]  A. Radenović,et al.  Single-layer MoS2 transistors. , 2011, Nature nanotechnology.

[18]  M. Terrones,et al.  Defect engineering of two-dimensional transition metal dichalcogenides , 2016 .