Two-dimensional stanene is limited in its application in nanoscale optoelectronic devices
due to its zero-bandgap. Based on first-principles calculations of density functional theory …

Density functional theory was used to investigate the effects of doping alkaline earth metal
atoms (beryllium, magnesium, calcium and strontium) on graphene. Electron transfer from …

Titanium trisulfide monolayer (TiS 3) is a quasi-1D crystal with promising applications in a
range of fields, including photoelectrochemical cells and thermoelectrics. Despite the …

This paper investigates the manipulation and control of optical properties in a Y-configured
four-level Landau-Quantized Graphene system. Through a comprehensive analysis of the …

A hybrid system which comprises in-plane graphene and hexagonal boron nitride (h-BN)
has sparked intense research due to its tailorable and promising physical properties. We …

We report ab initio DFT calculations to investigate the effect of the BN layer on the electronic
and optical properties of graphene. The electronic properties of graphene/h-BN bilayers …

The electronic and optical properties of Boron (B) and Beryllium (Be)-doped graphene were
determined using the ab initio approach based on the generalized gradient approximations …

Graphene despite its high surface area has very limited activity towards the oxygen
reduction reaction (ORR), demonstrating selectivity towards the unfavorable two-electron …