Analytical Model of CVD Growth of Graphene on Cu(111) Surface.
analytical model
chemical vapor deposition
graphene growth
lattice gas model
nucleation kinetics
Journal
Nanomaterials (Basel, Switzerland)
ISSN: 2079-4991
Titre abrégé: Nanomaterials (Basel)
Pays: Switzerland
ID NLM: 101610216
Informations de publication
Date de publication:
27 Aug 2022
27 Aug 2022
Historique:
received:
05
08
2022
revised:
22
08
2022
accepted:
24
08
2022
entrez:
9
9
2022
pubmed:
10
9
2022
medline:
10
9
2022
Statut:
epublish
Résumé
Although the CVD synthesis of graphene on Cu(111) is an industrial process of outstanding importance, its theoretical description and modeling are hampered by its multiscale nature and the large number of elementary reactions involved. In this work, we propose an analytical model of graphene nucleation and growth on Cu(111) surfaces based on the combination of kinetic nucleation theory and the DFT simulations of elementary steps. In the framework of the proposed model, the mechanism of graphene nucleation is analyzed with particular emphasis on the roles played by the two main feeding species, C and C2. Our analysis reveals unexpected patterns of graphene growth, not typical for classical nucleation theories. In addition, we show that the proposed theory allows for the reproduction of the experimentally observed characteristics of polycrystalline graphene samples in the most computationally efficient way.
Identifiants
pubmed: 36080001
pii: nano12172963
doi: 10.3390/nano12172963
pmc: PMC9457873
pii:
doi:
Types de publication
Journal Article
Langues
eng
Subventions
Organisme : Deutsche Forschungsgemeinschaft
ID : INST 40/575-1 FUGG
Organisme : Deutsche Forschungsgemeinschaft
ID : GRK 2450 "Scale bridging methods of computational nanoscience"
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