Lattice Mismatch Induced Tunable Dimensionality of Transition Metal Di-chalcogenides

Low-dimensional materials have excellent properties which are closely related to their dimensionality. However, the growth mechanism underlying tunable dimensionality from 2D triangles to 1D ribbons of such materials is still unrevealed. Here, we establish a general kinetic Monte Carlo model for transition metal dichalcogenides (TMDs) growth to address such an issue. Our model is able to reproduce several key findings in experiments, and reveals that the dimensionality is determined by the lattice mismatch and the interaction strength between TMDs and the substrate. We predict that the dimensionality can be well tuned by the interaction strength and the geometry of the substrate. Our work deepens the understanding of tunable dimensionality of low-dimensional materials and may inspire new concepts for the design of such materials with expected dimensionality.