We report the results of density functional theory-based calculations on monolayer and
bilayer green phosphorene and their heterostructures with MoSe2. Both monolayer and …

We propose a novel two-dimensional SnS allotrope (monolayer δ-SnS) based on an auxetic
δ-phosphorene configuration using first-principles calculations. This monolayer appears to …

Blue phosphorene (blue P), a new two-dimensional allotrope of phosphorus, has attracted
great attentions due to its high carrier mobility, suitable band gap and appreciable stability …

Using density functional theory, we investigated the vibrational properties and Raman
spectra of pristine blue phosphorene and fluorinated blue phosphorene. The fluorinated …

For the first time, we built green phosphorene nanotube (G-PNT) to explore the interaction
behavior of aforementioned tear gases on base material surface using the density functional …

Phosphorus (P) has been predicted to possess many two-dimensional (2D) allotropes,
which have attracted intensive research attention due to their excellent properties and …

Phosphorene exhibits great potential applications in nanoelectronics due to its relatively
large and direct band gap and good charge carrier mobility, and thus has attracted extensive …

We report optoelectronic properties of ultra-narrow blue phosphorene nanoribbons (BPNRs)
within the state-of-the-art density functional theory framework. The positive but small value of …

Optoelectronic properties of van der Waals heterostructure of pristine phosphorene (P) with
monolayer MoS 2 is investigated using density functional theory. The results suggest that the …

The van der Waals heterostructures of allotropes of phosphorene (α-and β-P) with MoSe2 (H-
, T-, ZT-and SO-MoSe2) are investigated in the framework of state-of-the-art density …