Eur. Phys. J. B 70, 449-459 (2009)
https://doi.org/10.1140/epjb/e2009-00239-7

Atomistic simulations of the sliding friction of graphene flakes

¹ Physics Department and INFM, University of Milan and European Theoretical Spectroscopy Facility, Via Celoria 16, 20133 Milano, Italy
² Department of Physics, University of Cagliari and SLACS-INFM/CNR Sardinian Laboratory for Computational Materials Science, Cittadella Universitaria, 09042 Monserrato (Ca), Italy

Corresponding author: ^a nicola.manini@mi.infm.it

Received: 2 April 2009
Revised: 16 June 2009
Published online: 15 July 2009

Abstract

Using a tight-binding atomistic simulation, we simulate the recent atomic-force microscopy experiments probing the slipperiness of graphene flakes made slide against a graphite surface. Compared to previous theoretical models, where the flake was assumed to be geometrically perfect and rigid, while the substrate is represented by a static periodic potential, our fully-atomistic model includes quantum mechanics with the chemistry of bond breaking and bond formation, and the flexibility of the flake. These realistic features, include in particular the crucial role of the flake rotation in determining the static friction, in qualitative agreement with experimental observations.