Enhancement of island size by dynamic substrate disorder in simulations of graphene growth
Literature Information
Gwilym Enstone, Gavin R. Bell
We demonstrate a new mechanism in the early stages of sub-monolayer epitaxial island growth, using Monte Carlo simulations motivated by experimental observations on the growth of graphene on copper foil. In our model, the substrate is “dynamically rough”, by which we mean (i) the interaction strength between Cu and C varies randomly from site to site, and (ii) these variable strengths themselves migrate from site to site. The dynamic roughness provides a simple representation of the near-molten state of the Cu substrate in the case of real graphene growth. Counterintuitively, the graphene island size increases when dynamic roughness is included, compared to a static and smooth substrate. We attribute this effect to destabilisation of small graphene islands by fluctuations in the substrate, allowing them to break up and join larger islands which are more stable against roughness. In the case of static roughness, when process (ii) is switched off, island growth is strongly inhibited and the scale-free behaviour of island size distributions, present in the smooth-static and rough-dynamic cases, is destroyed. The effects of the dynamic substrate roughness cannot be mimicked by parameter changes in the static cases.
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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