Two-dimensional semiconductors have demonstrated great potential for next-generation electronics and optoelectronics, however, the current 2D semiconductors suffer from intrinsically low carrier mobility at room temperature, which significantly limits their applications. Here we discover a variety of new 2D semiconductors with mobility 1 order of magnitude higher than the current ones and even higher than bulk silicon. The discovery was made by developing effective descriptors for computational screening of the 2D materials database, followed by high-throughput accurate calculation of the mobility using a state-of-the-art first-principles method that includes quadrupole scattering. The exceptional mobilities are explained by several basic physical features; particularly, we find a new feature: carrier-lattice distance, which is easy to calculate and correlates well with mobility. Our Letter opens up new materials for high performance device performance and/or exotic physics, and improves the understanding of the carrier transport mechanism.

• Received 30 July 2022
• Accepted 25 January 2023

DOI:https://doi.org/10.1103/PhysRevLett.130.087001