ZnO is an important material which has been widely applied in photodetector, catalyst, gas
sensor, field emitter, etc. Yet, its inability to absorb visible light, poor charge transport, and …

Nanostructured materials have gained immense attraction because of their extraordinary
properties compared to the bulk materials to be used in a plethora of applications in myriad …

We have investigated the interactions between a 5-aminolevulinic acid (ALA) drug and ZnO
nanostructures including ZnO monolayers and ZnO nanotubes (ZnONTs) using density …

This review aims to briefly outline the Hubbard-U scheme and to investigate the effect of its
inclusion in standard Density Functional Theory on electronic, structural, and optical …

A new approach for constructing amorphous/crystalline heterophase W-Zn (Ti) O
photocatalyst was develpoed via calcination topological transformation of the self-sacrificial …

Due to their unique properties, p-type copper oxide nanostructures have demonstrated
promising potential for various applications, especially for the detection of ethanol vapour …

In this article, the structural and electronic properties of bulk ZnO have been studied using
the plane-wave-based pseudopotential density functional theory (DFT). The structural …

Despite their low cost, safety, environmentally friendliness, and intrinsic non‐flammable
nature, the widespread application of aqueous rechargeable zinc‐based batteries has been …

The optical properties of titanium dioxide (TiO 2) in rutile, anatase and brookite phases were
investigated via density functional theory (DFT) framework. The Hubbard U term in Ti 3d …

Hydrogen storage in current years has become significant and momentous for researcher's
interest because hydrogen as an energy source can be utilized. In the current study, the …