Monolayer allotropes of boron (borophene) are being explored extensively for alkali-ion battery anode materials due to their metallicity and ultralow molar mass. However, the inherited polymorphism borophene has made adsorption mechanisms abstruse. Previous computational studies rely on uniform-adsorption model, which fails capture adsorption-induced phase change in thus predicts nonrealistic v...

Using density functional theory combined with nonequilibrium Green’s function method, the transport properties of borophene-based nano gas sensors gold electrodes are calculated, and comprehensive understandings regarding effects molecules, MoS2 substrate to borophene made. Results show that can be used detect distinguish CO, NO, NO2 NH3 leads a nonlinear behavior on current-voltage characteris...

For more than a decade after the discovery of the unique physical properties of graphene, two-dimensional (2D) materials have been attracting the attention of the nanoscale research community and beyond. This continuing interest is fueled by frequent reports of the discovery of new 2D materials, with silicene, germanene, and phosphorene already being intensely researched. More than 20 carbides ...

In this paper, we consider two new atomic models of van der Waals vertical heterostructures metal-semiconductor type based on a 2D buckled triangular borophene with metallic conductivity and graphene-like monolayers gallium nitride GaN zinc oxide ZnO, which are semiconductors. Using the density functional theory, equilibrium configurations supercells borophene/GaN borophene/ZnO found their ther...

We have presented the borophene based refractive index sensor for infrared frequency spectrum of 188 to 250 THz (1.2–1.6 µm) range. The proposed structure was formed by using Silver-borophene-silica-Ag layered structure. behaviour different analyte (with a index) material is numerically calculated placing it on top identified in terms absorption, reflectance, physical parameter variation, and o...