Graphene adlayer growth between nonepitaxial graphene and the Ni(111) substrate: a theoretical study.
作者： Lijuan Meng , Jinlian Lu , Yujie Bai , Lili Liu , Tang Jingyi
DOI: 10.1039/D0CP04667A
关键词: Graphene 、 Substrate (electronics) 、 Epitaxy 、 Layer (electronics) 、 Materials science 、 Chemical physics 、 Chemical vapor deposition 、 Nucleation 、 Bilayer graphene 、 Density functional theory
摘要: Understanding the fundamentals of chemical vapor deposition bilayer graphene growth is crucial for its synthesis. By employing density functional theory calculations and classical molecular dynamics simulations, we have investigated evolution carbon structures kinetics adlayer nucleation between top layer (GTL) Ni(111) substrate. Compared to epitaxial GTL, weaker interaction nonepitaxial GTL substrate makes more favorable. Furthermore, defects involving in are easier be healed by adopting GTL. Our results agree well with experimental observation demonstrate that a high quality can grown underneath on Ni-like substrates.
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