Superlubricity-activated thinning of graphite flakes compressed by passivated crystalline silicon substrates for graphene exfoliation
Ng, Teng Yong
Date of Issue2014-08-18
School of Mechanical and Aerospace Engineering
A special thinning phenomenon is observed through molecular dynamics, where compression of AB-stacked graphite flakes between two hydrogen-terminated silicon substrates leads to the exfoliation of graphene layers. We have used multiple molecular dynamics simulations to study how this thinning phenomenon is affected by parameters such as size, number of graphene layers, and the crystalline orientation of the substrate surface. It is shown that this thinning phenomenon occurs through the activation of an inter-layer superlubricity regime, caused by torque-induced spontaneous rotations of the layers which are initiated by in-plane shear modes of graphite during compression.
Mechanical and Aerospace Engineering
© 2014 Elsevier Ltd. This is the author created version of a work that has been peer reviewed and accepted for publication by Carbon, Elsevier. It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document. The published version is available at: [http://dx.doi.org/10.1016/j.carbon.2014.08.026].