There has been a great interest in understanding the interactions between light and noble
metal nanoparticles ever since Michael Faraday's study of the ruby-red color of colloidal …

Conventional magnetic order in a material requires the partially filled d or f bands. The
exchange interactions between the electrons in these partially filled bands give rise to a …

Using the dispersion-corrected density functional theory (DFT-D3) method, we
systematically studied the adsorption of 15 kinds of transition-metal (TM) clusters on pristine …

The surface morphology of the materials is known to have significant influence on the overall
photocatalytic performance. Therefore, identifying the corresponding electronic structures …

We employ first-principles and empirical computational methods to study the surface energy
and surface stress of silver nanoparticles. The structures, cohesive energies, and lattice …

The field of nanoscience was pioneered in the 1980s with the groundbreaking research on
clusters, which later led to the discovery of fullerenes. Handbook of Nanophysics: Clusters …

The toxicity of silver nanoparticles (AgNPs) has been related to the release of ionic silver.
This process is influenced by a large variety of factors and is poorly understood. The key to …

Geometries and electronic properties of neutral Ag n, cationic Ag n+, and anionic Ag n–silver
clusters with n= 2–22 were investigated by density functional theory (DFT) with M06 …

The time dependence of small-angle X-ray scattering (SAXS) curves for silver nanoparticle
formation was followed in situ at a time resolution of 0.18 ms, which is 3 orders of magnitude …

Subnanometer transition-metal clusters have been shown to possess catalytic activity that is
size-dependent. It has been suggested that the fluxionality of these small clusters may be …