| Abstract Scope |
2D semiconductors are promising candidates for future electronics, while they often have a low carrier mobility at room temperature. I will present our works to understand the origin of low carrier mobility, as well as the discovery of higher-mobility 2D semiconductors. By developing and applying first-principles methods, we calculate the scatterings from phonons [1-3] and defects, and provide the insights into the mobility-limiting bottlenecks and design principles to overcome the limitation. Using these principles, we computationally screen the 2D materials database, and discover a number of new semiconductors with very high carrier mobility, which may simulate experimental realization.
[1] L. Cheng, C. Zhang, Y. Liu*, Phys. Rev. Lett. 2020, DOI: 10.1103/PhysRevLett.125.177701
[2] L. Cheng, C. Zhang, Y. Liu*, J. Am. Chem. Soc., 2019, DOI: 10.1021/jacs.9b05923
[3] L. Cheng, Y. Liu*, J. Am. Chem. Soc., 2018, 140, 17895-17900
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