About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
2D Materials – Preparation, Properties, Modeling & Applications
|
| Presentation Title |
Graphene Growth via Thermal Decomposition of SiC:
Atomistic Investigations to Uncover the Kinetics of Structured Growth
|
| Author(s) |
Michael Paul Macisaac, Salil Bavdekar, Gavin Lindhorst, Richard Hennig, Douglas Spearot, Ghatu Subhash |
| On-Site Speaker (Planned) |
Michael Paul Macisaac |
| Abstract Scope |
Silicon carbide (SiC) thermal decomposition is a compelling route for structured graphene growth, enabling precise control over morphology and properties. Unfortunately, the effects of substrate geometry and environmental conditions on graphene quality are not well understood. This work addresses this gap by investigating the influence of surface structure and synthesis environment on graphene formation. We use molecular dynamics simulations powered by an Ultra-Fast Force Field to model thermal decomposition and graphene growth, capturing the interplay between synthesis parameters. An algorithm is developed for carbon ring and layer identification, enabling the quantification of graphene growth kinetics. This enables detailed exploration of atomistic mechanisms underlying SiC decomposition and graphene formation. Ultimately, a mechanistic understanding of graphene’s preferential growth behavior is presented relative to substrate geometry, including a defect-mediated growth process. Emphasis is placed on graphene grain boundary formation, annealing, and its role in facilitating bilayer growth. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Thin Films and Interfaces, Computational Materials Science & Engineering |