Identification and Structural Characterization of Twisted Atomically Thin Bilayer Materials by Deep Learning

Two-dimensional materials are expected to play an important role in next-generation electronics and optoelectronic devices. Recently, twisted bilayer graphene and transition metal dichalcogenides have attracted significant attention due to their unique physical properties and potential applications. In this study we describe the use of optical microscopy to collect the color space of chemical vapor deposition (CVD) molybdenum disulfide ($\mbox{MoS}_2$), and the application of a semantic segmentation convolutional neural network (CNN) to accurately and rapidly identify thicknesses of $\mbox{MoS}_2$ flakes. A second CNN model is trained to provide precise predictions on the twist angle of CVD-grown bilayer flakes. This model harnessed a dataset comprising over 10,000 synthetic images, encompassing geometries spanning from hexagonal to triangular shapes. Subsequent validation of the deep learning predictions on twist angles was executed through the second harmonic generation and Raman spectroscopy. Our results introduce a scalable methodology for automated inspection of twisted atomically thin CVD-grown bilayer.

Haitao Yang, Ruiqi Hu, Heng Wu, Xiaolong He, Yan Zhou, Yizhe Xue, Kexin He, Wenshuai Hu, Haosen Chen, Mingming Gong, Xin Zhang, Ping-Heng Tan, Eduardo R Hernández, Yong Xie · 2026