Device fabrication often requires materials that are either reliably conducting, reliably semiconducting, or reliably nonconducting. Bilayer graphene (BLG) changes from a superconductor (Cao et al., 2018) to a semiconductor ...

The family of two-dimensional materials is already a reality in the application of several technological devices. It is the motivation behind the search for unknown 2D structures using computational simulations, which can ...

For the first time, 2D symmetric hydrogenated zinc oxide (H-gZnO) and inorganic graphenylene-like zinc oxide (IGP-ZnO) nanosheets have been proposed computationally. Both nanosheets show be stable, and they retain the ...

In the last decade, graphene has been frequently cited as one of the most promising materials for nanoelectronics. However, despite its outstanding mechanical and electronic properties, its use in the production of real ...

Nanoporous single-layers surfaces derived from silicene, named porous silicene (PS) and silicenylene (SC) have been studied via periodic density functional theory with a modified B3LYP functional combined with an all-electron ...

A computational study via periodic density functional theory of porous nanotubes derived from single-layer surfaces of porous hexagonal boron nitride nanotubes (PBNNTs) and inorganic graphenylene-like boron nitride nanotubes ...