In this work highlights the modifications of the crystalline structure and properties of the
nanostructured cadmium sulphide (CdS) thin films, including gold quantum dots grown to …

Recently, Au-based clusters have been provoking great interest due to their potential
applications in nanotechnology. Herein, the structural, relative stable, electronic, and gas …

A basin-hopping search strategy has been used to determine likely candidates for low-
energy Rh n S0,±(n= 1–9) cluster structures. Cluster structures were optimized at the density …

The structural evolutions and electronic properties of bimetallic Au n–x Pt x (n= 2–14; x⩽ n)
clusters are investigated by using the density functional theory (DFT) with the generalized …

The geometries of phosphorus-doped gold clusters, AunP−(n= 1–8), have been investigated
using different density functionals and basis sets. B3LYP and PBE functionals with 4 basis …

A theoretical study was performed of the reactions of the stabilized Criegee intermediates
(sCIs) of β-pinene with H2O and its dimer. Due to the large size of the biogenic sCIs, the …

Rare-earth doped materials are of immense interest for their potential applications in linear
and nonlinear photonics. There is also intense interest in sub-nanometer gold clusters due …

In coastal regions and ocean areas, methanesulfonic acid (MSA; CH 3 SO 3 H) is present in
considerable concentrations in the gas-phase and aerosols. It has been shown that MSA …

Density functional calculations have been performed for the structural, electronic, and
magnetic properties of Au5M (M= Sc–Zn) clusters. Geometry optimizations indicate that the …

Gold sulfur clusters have received much attention because of the dramatic effect that the
gold–sulfide interaction produces in thiol-passivated gold nanoparticles. We present a …