Large-scale epitaxial growth kinetics of graphene: A kinetic Monte Carlo study

The Journal of Chemical Physics
Huijun Jiang, Zhonghuai Hou

Abstract

Epitaxial growth via chemical vapor deposition is considered to be the most promising way towards synthesizing large area graphene with high quality. However, it remains a big theoretical challenge to reveal growth kinetics with atomically energetic and large-scale spatial information included. Here, we propose a minimal kinetic Monte Carlo model to address such an issue on an active catalyst surface with graphene/substrate lattice mismatch, which facilitates us to perform large scale simulations of the growth kinetics over two dimensional surface with growth fronts of complex shapes. A geometry-determined large-scale growth mechanism is revealed, where the rate-dominating event is found to be C1-attachment for concave growth-front segments and C5-attachment for others. This growth mechanism leads to an interesting time-resolved growth behavior which is well consistent with that observed in a recent scanning tunneling microscopy experiment.

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Citations

Oct 3, 2019·The Journal of Chemical Physics·Neil A Mehta, Deborah A Levin
Apr 20, 2016·Nanoscale·C Heath TurnerYuping Bao
Dec 18, 2019·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Shuai ChenYong-Wei Zhang

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