Electronic Properties of Boron Nitride Nanotubes

In this work, we present a first-principles study coupled with Green's function formalism to investigate changes in the electronic properties of Boron Nitride Nanotubes (BNNTs) due to analyte adsorption, including hexadecanol, benzaldehyde, and benzoic acid. A transverse electric field representing a gate source is also included in our calculations to study band-gap modulation due to the Giant Stark effect. Effects of the analytes-adsorption on the electronic band structure, density of states, and transport properties will be outlined.