We carried out ab initio self-consistent calculations to study the modification of the band offsets by polar layers. We considered a double line of C in a monolayer of hexagonal BN, also known as Boronitrene. This effectively introduces a line of dipoles at the interface. We considered BN/C zigzag and armchair configurations. The BN/C zigzag-short is found to be energetically most stable and with the smallest (1.51eV). We show that a two dimensional diode can be constructed from this structure, with changes to the electronic and optical properties of the host system.
|Level (Hons, MSc, <br> PhD, other)?||PhD|
|Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)?||No|
|Consider for a student <br> award (Yes / No)?||Yes|