Elder K L M, Seymour M, Lee M, Hilke M, Provatas N
Department of Physics, Centre for the Physics of Materials, McGill University, 3600 Rue University, Montreal, Quebec, Canada H3A 2T8
Department of Physics, Centre for the Physics of Materials, McGill University, 3600 Rue University, Montreal, Quebec, Canada H3A 2T8.
Philos Trans A Math Phys Eng Sci. 2018 Feb 28;376(2113). doi: 10.1098/rsta.2017.0211.
We extend the three-point XPFC model of Seymour & Provatas (Seymour & Provatas 2016 , 035447 (doi:10.1103/PhysRevB.93.035447)) to two components to capture chemical vapour deposition-grown graphene, and adapt a previous two-point XPFC model of Greenwood (Greenwood 2011 , 064104 (doi:10.1103/PhysRevB.84.064104)) into a simple model of two-component graphene. The equilibrium properties of these models are examined and the two models are compared and contrasted. The first model is used to study the possible roles of hydrogen in graphene grain boundaries. The second model is used to study the role of hydrogen in the dendritic growth morphologies of graphene. The latter results are compared with new experiments.This article is part of the theme issue 'From atomistic interfaces to dendritic patterns'.
我们将西摩和普罗瓦塔斯的三点XPFC模型（西摩和普罗瓦塔斯，2016年，035447（doi:10.1103/PhysRevB.93.035447））扩展为双组分模型，以描述化学气相沉积生长的石墨烯，并将格林伍德之前的两点XPFC模型（格林伍德，2011年，064104（doi:10.1103/PhysRevB.84.064104））改编为双组分石墨烯的简单模型。研究了这些模型的平衡性质，并对这两个模型进行了比较和对比。第一个模型用于研究氢在石墨烯晶界中的可能作用。第二个模型用于研究氢在石墨烯树枝状生长形态中的作用。将后者的结果与新的实验进行了比较。本文是主题为“从原子界面到树枝状图案”的一部分。
