Nucleation of Graphene Precursors on Transition Metal Surfaces: Insights from Theoretical Simulations

We present quantum chemical simulations demonstrating graphene precursor formation on bcc (111) transition metal surfaces during the chemical vapor deposition process. We observe that the experimentally reported positive curvature of graphene precursors is a consequence of the natural tendency towar...

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Veröffentlicht in:	Journal of physical chemistry. C 2013-07, Vol.117 (28), p.14858-14864
Hauptverfasser:	Page, Alister J, Wang, Ying, Li, Hai-Bei, Irle, Stephan, Morokuma, Keiji
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical vapor deposition (including plasma-enhanced cvd, mocvd, etc.) Condensed matter: structure, mechanical and thermal properties Cross-disciplinary physics: materials science rheology Equations of state, phase equilibria, and phase transitions Exact sciences and technology Fullerenes and related materials diamonds, graphite General studies of phase transitions Materials science Methods of deposition of films and coatings film growth and epitaxy Methods of nanofabrication Nucleation Physics Self-assembly Specific materials
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