Effect of fully functionalization on carrier mobility of two-dimensional BN

• Published in: Solid state communications 2022-04, Vol.346, p.114698, Article 114698
• Main Authors: Tong, Lijia, Ma, Chunyu, Wang, Yang, Jin, Na, Chen, Zheng
• Format: Article
• Language: English
• ISSN: 0038-1098; 1879-2766
• DOI: 10.1016/j.ssc.2022.114698

Developing nano-field-effect transistor (nano-FET) requires two-dimensional (2D) material with proper large band-gap, good air-stability, and functional carrier mobility. As known, 2D BN meets the first two conditions. Now, our numerical results show that pristine and fully functionalized 2D BN performs useable and tunable carrier mobility (4–23,000 cm2 V−1s−1). What's more, fully functionalization can significantly enhance the electron mobility (up to 34,000 cm2 V−1s−1) and suppress the hole mobility (close to 0 cm2 V−1s−1). Our work further taps the potential for 2D BN and should shed some light on its practical application in future nano-FET. •The pristine 2D BN performs useable carrier mobility (167–2000 cm2 V−1s−1).•Fully functionalization can saturates the out-plane dangling bond (pz orbitals) and results in stable puckered 2D BN.•The structural transformation from flattened hexagonal structure to buckled configuration can significantly enhance the electron mobility (up to 34,000 cm2 V−1s−1) and suppress the hole mobility (close to 0 cm2 V−1s−1).•This feature enables 2D-BN to assemble conductivity-adjustable nanoelectronics devices.