The modification of an idealized infinite bulk system by dimensional reduction or structural
distortion results in quantum confinement effects (QCEs). For example, dimensional …

In this paper, the finite element method is utilized to evaluate the behavior of the armchair
phosphorene nanotubes under the compressive loading. The energy equations of the …

Contrary to recent reports, we show that the electronic properties of phosphorene nanotubes
are surprisingly rich and much more complex than previously assumed. We find that all …

In this study, we investigate the mechanical properties of armchair phosphorene nanotubes
using a combination of density functional theory (DFT) and the finite element method (FEM) …

In this paper, the density functional theory is used to study the elastic and plastic properties
of monolayer phosphorene with and without atomic adsorption. Different atoms, including Li …

We investigate the electronic properties of blue-phosphorene nanotubes using density
functional theory first-principle calculations, taking into account, in particular, the presence of …

We developed ReaxFF parameters for phosphorus and hydrogen to give a good description
of the chemical and mechanical properties of pristine and defected black phosphorene …

Phosphorene is demonstrated to have a great potential in the electronics applications. In this
work, the first-principle calculations are employed to predict the mechanical properties and …

The effects of size, strain, and vacancies on the thermal properties of armchair black
phosphorus nanotubes are investigated based on qualitative analysis from molecular …

Adsorption of trimethyl amine (TMA) and dimethyl amine (DMA) on the nanotube form of
black phosphorene (BPNT) is explored using insightful density function theory (DFT) …