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

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.