On The Effects of Ripple Formation of Graphene, the Molecular Dynamics Approach
Paper ID : 1518-ICNS
Authors:
Seyedeh Mahsa Mofidi1, Hossein Nejat Pishkenari *2, Mohammad Reza Ejtehadi3, Alexey V. Akimov4
1Institute for Nanoscience and Nanotechnology (INST),Sharif University of Technology, Tehran, Iran; Department of Chemistry, University at Buffalo, State University of New York, United States
2Mechanical Engineering Department, Sharif University of Technology, Tehran, Iran
3Department of Physics, Sharif University of Technology,Tehran, Iran
4Department of Chemistry, University at Buffalo, State University of New York, United States
Abstract:
The interest to transport properties of nanocars as a function of their structure, fuels further fundamental research with the goal to understand the dynamics of nanomachines on various surfaces at atomistic level. Among the multitude of potential substrates for the nanotransporters, graphene exhibits intrinsic ripples on its surface, which may affect the surface dynamics of nanocars. Here, we report our molecular dynamics study of C60 motion, as a popular nanocar wheel, on the graphitic substrates with systematically-controllable surface ripples. We find that surface ripples increase the normal direction amplitude of fullerene fluctuation, which leads to a decrease of the desorption temperature from 650 K on graphite to 550 K on single-layer graphene with more ripples. The surface ripples change the anomaly parameter, and consequently regime of motion especially at low temperatures.
Keywords:
Molecular Dynamics, Diffusive Motion, Deformation, Graphene
Status : Abstract Accepted (Oral Presentation)