Phosphorene-based 2D Materials

In this talk, we will report the results of density functional theory calculations on phosphorene-based 2D materials including hybrid allotropes and extrinsic point defects of phosphorene, and phosphorene oxide.

We will show that the electronic properties of phosphorene can be modified by the adatom functionalization.

Additionally, the oxygen absorption may not degrade the phosphorene, and degree of the functionalization of phosphorene determines the electronic properties. This is reaffirmed by dependence of the diode-like asymmetric current-voltage response on the degree of stoichiometry for the phosphorene oxide.
(in collaboration with Gaoxue Wang and Shashi Karna)