Phosphorene, a single layer of black phosphorus, has attracted considerable attention
recently due to its intriguing structures and fascinating electronic properties. In particular, its …

The molecular dynamics (MD) simulation method has been widely used to study mechanical
and thermal properties of nanomaterials. However, a comprehensive review that compares …

The effect of temperature and strain rate on mechanical properties remains an open topic in
research of hexagonal boron nitride (h-BN) nanosheets. To examine these fundamental …

Using atomistic simulations we investigate the thermodynamical properties of a single
atomic layer of hexagonal boron nitride (h-BN). The thermal induced ripples, heat capacity …

Hexagonal boron nitride (hBN) is an up-and-coming two-dimensional material, with
applications in electronic devices, tribology, and separation membranes. Herein, we utilize …

Due to their exceptional mechanical properties, thermal conductivity and a wide band gap (5–
6 eV), boron nitride nanotubes and nanosheets have promising applications in the field of …

Boron nitride nanotubes (BNNTs) have been extensively studied for hydrogen storage,
sensing, and radiation shielding applications. The deformation behaviors of pristine …

Molecular dynamics (MD) simulations were carried out with a three-body Tersoff potential
force field to predict the transversely isotropic elastic properties of pristine and defected …

The development of recently discovered two-dimensional (2D) piezotronics will benefit from
the comprehensive understanding of the piezopotential properties of 2D materials. Taking …

Boron nitride nanotubes (BNNTs) form a promising low-dimensional piezoelectric material
that may be used for multifunctional energy-harvesting nanopiezoelectronic devices. The …