Electronic Properties of Phosphorene/MoSe 2 Vertical Hetero-structures

Abstract

We report three structurally different and stable phases of MoSe2 namely h-MoSe2 (trigonal prismatic phase), t-MoSe2 (distorted octahedral coordinated phase) and o-MoSe2 (consisting of repeated octagon pairs) and their hetero-structures with black phosphorene. The MoSe2-octa phase possesses graphene-like character i.e. cone feature at the All the considered hetero-structures are energetically equally favorable. The h-MoSe2/black-P is found to be a in nature while on the other hand t-MoSe2/black-P and o-MoSe2black-P are metallic. These novel hetero-structures may be useful in the of nano-electronic based on phosphorene hetero-structures.