The wrinkle formation in graphene on transition metal substrate: a molecular dynamics study

International Journal of Smart and Nano Materials

Xiao Kong¹  Tianying Yan²  Feng Ding³  Fengning Liu³  Chao Zhao³ 

[1] Institute for Basic Science;National Institute for Advanced Materials, Nankai University;Ulsan National Institute of Science and Technology (UNIST);

关键词: graphene;    wrinkles;    molecular dynamic simulation;    chemical vapor deposition;   

DOI  :  10.1080/19475411.2020.1820621

来源: DOAJ

【 摘 要 】

To explore the mechanism of the wrinkle formation in graphene on transition metal substrate, a molecular dynamics (MD) simulation package that allows us to simulate systems of millions of atoms was developed. Via the MD simulation, we reveal the detailed kinetics of wrinkles formation on a Cu substrate under compressive strain, from nucleation to one-dimensional propagation and then the splitting of a large wrinkle to a few smaller ones, which is in good conformity with experimental observation. Further study reveals that both friction and the adhesion between graphene and Cu substrate are critical for the wrinkle formation and wrinkles can be easily formed with a lower frictional force and/or a smaller adhesion. Finally, we have shown that impurities in graphene or substrates can greatly facilitate the nucleation of wrinkles. The systematic exploration of the wrinkle formation in graphene on a substrate is expected to facilitate the experimental designs for the controllable synthesis of high-quality graphene.

【 授权许可】

Unknown