Gold is an element whose unique properties are strongly influenced by relativistic effects. A
large body of appropriate calculations now exists and its main conclusions are summarized …

Density functional theory (DFT) calculations were carried out to study gold clusters of up to
55 atoms. Between the linear and zigzag monoatomic Au nanowires, the zigzag nanowires …

Binding of gold and silver clusters with amino acids (glycine and cysteine) was studied using
density functional theory (DFT). Geometries of neutral, anionic, and cationic amino acids …

Bond length is an important structural parameter that can affect the activity of catalysts. In
core–shell gold–palladium (Au@ Pd) nanocatalysts, sites with elongated Pd–Pd bonds …

The atomic and electronic structure of Au 5 M (M= Na, Mg, Al, Si, P, S, and Au) clusters have
been investigated using generalized gradient approximation to the density functional theory …

The geometrical structures, relative stabilities, and electronic properties of small bare gold
clusters Auλn and bimetallic complexes of bare metal clusters with one copper atom Aun …

Metal nanoclusters (MNCs) have been demonstrated to exhibit superior catalytic
performance compared to single nanoparticles. This is attributed to their quantized …

Bimetallic palladium− gold Pd n Au m clusters of low nuclearity (n+ m≤ 14) are studied
using the density functional theory at B3LYP level with a Lanl2DZ pseudopotential to …

The optimization of catalysts for CO2 hydrogenation that is carried out in a traditional fixed-
bed reactor predominantly focuses on pursuing various nanoparticles at the nanoscale …

The growth, surface composition, and chemical activity of Ni–Au clusters on TiO2 (110) have
been studied by scanning tunneling microscopy (STM), low energy ion scattering (LEIS) …