A Multiscale Insight into the Growth of H-Bn: Effect of the Enclosure

Abstract

Chemical vapor deposition technique and its derivatives have been used to synthesize high-quality 2D materials. However, the lack of fundamental understanding of the governing growth mechanisms and the correlation between large-scale control parameters and mesoscale growth morphologies has hindered their wafer-scale synthesis. We developed a multiscale framework, which correlates the macroscale heat and mass flow with the mesoscale morphology of the as-grown 2D materials. We use hexagonal boron nitride (h-BN) as our model material and investigated the effect of substrate enclosure on growth kinetics and its final morphology. We revealed a lower concentration and a more uniform precursor concentration on the substrate in an enclosed-growth compared to open-growth, and it leads to a more uniform size distribution of the h-BN islands, consistent with existing experimental investigations.

Keywords: Hexagonal Boron Nitride (h-BN), Chemical vapor deposition (CVD), Phase-field, 2D materials, materials synthesis