| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
2D Materials – Preparation, Properties, Modeling & Applications
|
| Presentation Title |
Phase-Field Modeling of 2D Materials Growth During Chemical Vapor Deposition |
| Author(s) |
Yanzhou Ji |
| On-Site Speaker (Planned) |
Yanzhou Ji |
| Abstract Scope |
Chemical vapor deposition (CVD) has been widely applied for 2D materials synthesis. Understanding the growth mechanisms and predicting the growth morphologies are important prerequisites for controlled synthesis of high-quality 2D materials with desirable functional properties. This presentation will discuss the thermodynamic and kinetic processes during CVD growth of 2D materials, and comprehensive phase-field and multiscale models to predict the morphological evolution of 2D materials. The effectiveness of the phase-field model will be demonstrated using three examples: (1) the island morphology distribution of CVD-grown MoS2 and WSe2 monolayers on the whole substrate; (2) the formation of star-shaped WS2 monolayers with twin boundaries promoted by Mo atoms; and (3) the catalytic CVD growth behaviors of carbon nanotubes. The further development of the model to guide the design and synthesis of 2D materials will also be discussed. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Nanotechnology |