Hydrogenated boron phosphide with the excellent tunability of electronic properties and Current-Voltage responses

Combining the first principles calculations and the non-equilibrium Green’s function formalisms, we decipher the structural, electronic, and transport properties of boron phosphide (BP) with hydrogenation. Hydrogenated BP monolayer is an indirect semiconductor with a wide-bandgap of 3.76 eV that is favorable in power devices. We find that the electronic properties are dependent of the stacking orders and the binding strength of the AA-, AB-, and...