Phase Diagram of growth modes in Graphene Growth on Cooper by Vapor Deposition

Understanding the atomistic mechanism in graphene growth is crucial for controlling the number of layers or domain sizes to meet practical needs. In this work, focusing on the growth of graphene by chemical vapor deposition on copper substrates, the surface kinetics in the growth are systematically...

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Bibliographic Details
Published in:arXiv.org 2024-06
Main Authors: Wang, Tongtong, Zheng, Jian, Wei, Xin, Shu, Dajun
Format: Article
Language:English
Subjects:
Bilayers
Chemical vapor deposition
First principles
Graphene
Nucleation
Phase diagrams
Pressure effects
Substrates
Surface kinetics
Two dimensional materials
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Summary:Understanding the atomistic mechanism in graphene growth is crucial for controlling the number of layers or domain sizes to meet practical needs. In this work, focusing on the growth of graphene by chemical vapor deposition on copper substrates, the surface kinetics in the growth are systematically investigated by first-principles calculations. The phase diagram, predicting whether the growth mode is monolayer graphene or bilayer graphene under various experimental conditions, is constructed based on classical nucleation theory. Our phase diagram well illustrates the effect of high hydrogen pressure on bilayer graphene growth and clarifies the mechanism of the most widely used experimental growth approaches. The phase diagram can provide guidance and predictions for experiments and inspires the study of other two-dimensional materials with graphene-like growth mechanisms.
ISSN:2331-8422