As elemental main group materials (ie, silicon and germanium) have dominated the field of
modern electronics, their monolayer 2D analogues have shown great promise for next …

The post-graphene era is undoubtedly marked by two-dimensional (2D) materials such as
quasi-van der Waals antimonene. This emerging material has a fascinating structure …

Boosted by the great success of graphene, the past decade has witnessed the rapid
development of graphene-analogous two-dimensional (2D) nanomaterials. Despite the high …

Antimonene, defined in sensu stricto as a single layer of antimony atoms, is recently the
focus of numerous theoretical works predicting a variety of interesting properties and is …

Using the WIEN2k code, first-principles simulations of ZrXH 3 (X= Zn, Cd) hydride
perovskites are performed to determine their hydrogen storage properties. The purpose of …

Soon after the synthesis of two-dimensional (2D) ultrathin black phosphorus and fabrication
of field effect transistors thereof, theoretical studies have predicted that other group-VA …

In this study, the effects of interlayer interaction and biaxial strain on the electronic structure,
phonon dispersion and optical properties of monolayer and bilayer BAs are studied, using …

Recent investigations have revealed that some transition-metal dichalcogenides (TMDs),
such as MoS2 and WS2, are excellent candidates for high-efficiency photocatalysts for water …

The extraordinary properties and the novel applications of black phosphorene induce the
research interest in the monolayer group-IV monochalcogenides. Here using first-principles …

Due to the asymmetric structures, two-dimensional Janus materials have gained significant
attention in research for their intriguing piezoelectric and spintronic properties. In the present …