Improving the coverage area and flake size of ReS2through machine learning in APCVD.

Abstract

Machine learning is playing a crucial role in optimizing material synthesis, particularly in scenarios where several parameters related to growth exhibit different and significant outcomes. An example of such complexity is the growth of atomically thin semiconductors through chemical vapor deposition (CVD), where multiple parameters can influence the thermodynamics and reaction kinetics involved in the synthesis. Herein, we performed a set of orthogonal experiments, varying the key parameters such as temperature, carries gas flux and precursor position to identify the optimal conditions for maximizing covered area and the size of rhenium disulfide (ReS₂) crystals. The experimental results were used to establish correlations among the three thermodynamic variables through an artificial neural network. Contour plots were then generated to visualize the impact on the coverage and flake size of the crystals. This study demonstrates the capability of machine learning to enhance the potential of CVD-growth for the integration of 2D semiconductors like ReS₂at larger scales.