Evolution of domains and grain boundaries in graphene: a kinetic Monte Carlo simulation.

@article{Zhuang2016EvolutionOD,
  title={Evolution of domains and grain boundaries in graphene: a kinetic Monte Carlo simulation.},
  author={Jianing Zhuang and Ruiqi Zhao and Jichen Dong and Tianying Yan and Feng Ding},
  journal={Physical chemistry chemical physics : PCCP},
  year={2016},
  volume={18 4},
  pages={2932-9}
}
To understand the mystery of preferential mismatching angle of grain boundaries (GB) in multi-crystalline graphene observed experimentally, a systematic kinetic Monte Carlo simulation is designed to explore how a two-dimensional amorphous carbon system evolves into graphene domains and GBs. The details of the evolution, including the graphene domain nucleation, growth, rotation, coalescence, the corresponding GB motion, rotation and elimination, are observed. One hundred individual simulations… CONTINUE READING