Advanced Insights into Multilayered TMDC Growth Dynamics

High-quality transition metal dichalcogenides (TMDCs) are pivotal for driving innovation and creating new opportunities across various industries. The advancement and sustainable development of TMDCs are intricately linked to our ability to manipulate matter across different length scales, requiring a comprehensive theoretical understanding of nucleation and growth dynamics. This presentation will delve into the critical thermodynamic and kinetic factors governing TMD materials' intricate multilayer growth processes. It will explore the current and published findings [1-3], addressing compelling experimental challenges such as (i) the orchestration of surface chemistry and substrate crystallographic structure to elevate the van der Waals epitaxy, (ii) the intricate interplay of operational conditions influencing multilayer growth dynamics, and (iii) the seamless integration of nuclei into crystalline films.<br/>1. Zhu, H., Nayir, N., Choudhury, T.H. <i>et al. </i>Step engineering for nucleation and domain orientation control in WSe2<i> </i>epitaxy on <i>c</i>-plane sapphire. <i>Nat. Nanotechnol. </i>(2023). https://doi.org/10.1038/s41565-023-01456-6<br/>2. Bachu S., Kowalik M., Huet B., Nayir N., Dwivedi S., Reifsnyder Hickey D., Qian C., Snyder D. W., Rotkin S. V., Redwing J. M., van Duin A. C. T., Alem N., ACS Nano, 17, 13, 12140–12150 (2023)<br/>3. Nayir N., Mao Q., Wang T., Kowalik M., Zhang Y., Wang M., Dwivedi S., Jeong G., Shin Y., van Duin A.C.T, “Modeling and simulations for 2D materials: a ReaxFF perspective”, <i><i>2D Mater.</i></i> 10 032002 (2023)