• 文献标题:   Large-scale epitaxial growth kinetics of graphene: A kinetic Monte Carlo study
  • 文献类型:   Article
  • 作  者:   JIANG HJ, HOU ZH
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF CHEMICAL PHYSICS
  • ISSN:   0021-9606 EI 1089-7690
  • 通讯作者地址:   Univ Sci Technol China
  • 被引频次:   8
  • DOI:   10.1063/1.4929471
  • 出版年:   2015

▎ 摘  要

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 C-1-attachment for concave growth-front segments and C-5-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. (C) 2015 AIP Publishing LLC.