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Electronic structure engineering of various structural phases of phosphorene
(Royal Society of Chemistry, 2016)
We report the tailoring of the electronic structures of various structural phases of phosphorene (?-P, ?-P, ?-P and ?-P) based homo- and hetero-bilayers through in-plane mechanical strains, vertical pressure and transverse ...
Electronic Properties of Phosphorene/MoSe 2 Vertical Hetero-structures
(AIP Publishing, 2017)
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 ...
Electronic properties of phosphorene/graphene heterostructures: Effect of external electric field
(American Institute of Physics Inc., 2016)
We report the electronic properties of electrically gated heterostructures of black and blue phosphorene with graphene. The heterostructure of blue phosphorene with graphene is energetically more favorable than black ...
Stability and carrier transport properties of phosphorene-based polymorphic nanoribbons
(Institute of Physics Publishing, 2018)
Few-layer black phosphorene has recently attracted significant interest in the scientific community. In this paper, we consider several polymorphs of phosphorene nanoribbons (PNRs) and employ deformation potential theory ...
Van der Waals heterostructures based on allotropes of phosphorene and MoSe2
(Royal Society of Chemistry, 2017)
The van der Waals heterostructures of allotropes of phosphorene (?- and ?-P) with MoSe2 (H-, T-, ZT- and SO-MoSe2) are investigated in the framework of state-of-the-art density functional theory. The semiconducting ...
Monolayer, Bilayer, and Heterostructures of Green Phosphorene for Water Splitting and Photovoltaics
(American Chemical Society, 2018)
We report the results of density functional theory-based calculations on monolayer and bilayer green phosphorene and their heterostructures with MoSe 2 . Both monolayer and bilayer green phosphorene are direct band gap ...