Towards Highly Conductive 2D Semiconductors from First Principles

2D semiconductors have shown great promising for various applications, but they generally have poor electronic transport at room temperature. I will present our recent efforts in developing and applying first-principles computation methos to understand this bottleneck. I will compare the phonon scattering vs defect scattering, as well as the transport across different materials. Finally, I will present some new 2D semiconductors with predicted ultrahigh mobilities, which can enable high-performance devices.