2022/11/27 by Xiao Wang, Wang, Xiao, Xiaoxin Yang +3
Materials Science · #2D Materials and Applications #Boron and Carbon Nanomaterials Research #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #MXene and MAX Phase Materials #Materials Science (cond-mat.mtrl-sci)
paper · pdf · doi:10.48550/arxiv.2211.14863
openalex publication_date 2022/11/27 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
The Moore's law in the semiconducting industry has faltered as the three-dimensional (3D) Si-based transistors has approached their physical limit with the downscaling. The carrier mobility \rm μ, critical to the device's performance, will be degraded when the thickness of Si is scaled into several nanometers. In contrast to the bulk counterpart, two-dimensional (2D) semiconductors can be scaled into atomic-layer thickness without dangling bonds, maintaining its intrinsic carrier mobility and going beyond the limits of Si-based electronics. Hence, the development of novel 2D semiconducting materials with high carrier mobility is the market demand as well as the scientific challenge. Here, we successfully designed 2D \rm Be3B2C3 with planar hypercoordinate motif. It possesses the perfect planar skeleton with both pentacoordinate carbon and hexacoordinate boron moieties, which is the first reported material with such multi-hypercoordinate centers. Density functional theory (DFT) calculations prove that the \rm Be3B2C3 monolayer has excellent structural and thermal stabilities as well as mechanical properties. Further investigations reveal that the \rm Be3B2C3 monolayer has a strong ultrahigh Fermi velocity (\rm 2.7 × 105 m/s), suitable direct bandgap (1.97 eV), and high optical absorption coefficient (\rm 105). As a result, an unprecedented ultrahigh room-temperature carrier mobility (\rm 8.1 × 105 cm2V-1s-1) with strong anisotropy is discovered, making \rm Be3B2C3 monolayer a revolutionary candidate for future electronic and photovoltaic applications.