First-Principles Thermodynamics of Graphene Growth on Cu Surfaces
By Wenhua Zhang, Ping Wu, Zhenyu Li, Jinlong Yang. 2011
342 citations recorded by the source corpus.
Chemical vapor deposition (CVD) is an important method to synthesis graphene on a substrate. Recently, Cu became the most popular CVD substrate for graphene growth. Here, we combine electronic structure calculation, molecular dynamics simulation, and thermodynamics analysis to study the graphene growth process on Cu surfaces. As a fundamentally important but previously overlooked fact, we find that carbon atoms are thermodynamically unfavorable on a Cu surface under typical experimental conditions. The active species for graphene growth should thus mainly be CHx instead of atomic carbon. On the basis of this new picture, the nucleation behavior can be understood, which explains many experimental observations and also provides us a guide to improve graphene sample quality.
Subfields: Materials Chemistry, Renewable Energy, Sustainability and the Environment
View Paper: https://www.semanticscholar.org/paper/931687b1461e8a7413eb9a542f7cf642591c6fc8
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
In Materials Chemistry
In Renewable Energy, Sustainability and the Environment
Citations in the corpus
- Large scale atmospheric pressure chemical vapor deposition of graphene (2013, background): “Crystallographic orientation of the catalyst foil affects several core processes involved in graphene growth including the carbon precursor dehydrogenation [44] and adsorption, [48] generation of hydrogen atoms [45,46], and surface diffusion [47].”