Graphene条带的热稳定性研究  

Melting of Graphene Ribbons

作　　者：李爱华[1] 

机构地区：[1]湖南科技学院电子工程系,湖南永州425100

出　　处：《湖南科技学院学报》2010年第4期38-41,共4页Journal of Hunan University of Science and Engineering

摘　　要：采用分子动力学模拟方法研究了锯齿型和扶手型graphene条带的熔化性质,依据Lindemann指数曲线的变化趋势得出锯齿型和扶手型graphene条带的整体熔化温度分别为5000K～5500K和4500K～5000K,锯齿型graphene条带的热稳定性比扶手型graphene条带相对要好些。Graphene条带通常是不平整的,随着模拟温度的增加,graphene条带在边缘先出现C键的断裂并从边缘处开始熔化。Molecular dynamics simulations have been used to study the dynamic changes during melting of zigzag and armchair graphene ribbons.Using the Lindemann parameter,we found that the melting temperature of zigzag graphene ribbons is around 5000～5500K,the melting temperature of armchair graphene ribbons is around4500～5000K.The results reveal that the melting temperature depends on the width and configuration of the graphene ribbons.Melting of graphene ribbons always starts from its edges.

关 键 词：Graphene条带 Lindemann指数 熔化 分子动力学模拟 

分 类 号：P618.13[天文地球—矿床学]