物理学报Issue(1)：1-7,7.DOI:10.7498/aps.64.016804
硅晶体表面石墨烯褶皱形貌的分子动力学模拟研究∗
Molecular dynamics study of ripples in graphene monolayer on silicon surface
摘要
Abstract
By using the classical molecular dynamics and the simulated annealing techniques, the evolutions of the rippled morphology in single atomic graphenes placed on the Si (100), Si (111) and Si (211) surfaces respectively are performed at an atomic level. Our results show that the monolayer graphene sheets on the different Si surfaces form atomic scale rippled structures. A graphene monolayer prepared on Si surface forms rippled structure due to the relative lattice mismatch between graphene and Si substrate. The rippled morphology of graphene sheet on Si surface is strongly dependent on the annealing temperature. Such ripples will directly affect the adhesion strength between graphene and Si substrate. These findings are useful for understanding the structural morphology and stability of graphene on the semiconductor Si substrate, which will provide an analysis reference for further applications of graphene.关键词
石墨烯/褶皱形貌/分子动力学模拟Key words
graphene/ripples/molecular dynamic simulation引用本文复制引用
覃业宏,唐超,张春小,孟利军,钟建新..硅晶体表面石墨烯褶皱形貌的分子动力学模拟研究∗[J].物理学报,2015,(1):1-7,7.基金项目
国家自然科学基金青年科学基金(批准号:11204260,11304263)、教育部长江学者和创新团队发展计划(批准号：IRT13093),湖南省自然科学基金(批准号:14JJ7037)和湘潭大学自然科学研究项目(批准号:09QDZ08)资助的课题.* Project supported by the Young Scientists Fund of the National Natural Science Foundation of China (Grant Nos.11204260,11304263), the Program for Chang jiang Scholars and Innovative Research Team in University of Ministry of Education of China (Grant No. IRT13093), the Natural Science Foundation of Hunan Province, China (Grant No.14JJ7037), and the Research Foundation of Xiangtan University, China (Grant No.09QDZ08) （批准号:11204260,11304263）
