The discovery of carbon fullerene cages and their solids opened a new avenue to build
materials from stable cage clusters as “artificial atoms” or “superatoms” instead of atoms …

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 …

A bimetallic organic framework (MIL-101 (Fe/Cu)) was fabricated by Cu-doped modification
and applied as a catalyst for persulfate (PS) oxidation coupled with visible-light …

The fullerenes are the first “free-standing” elemental hollow cages identified by spectroscopy
experiments and synthesized in the bulk. Here, we report experimental and theoretical …

Unlike bulk materials, the physicochemical properties of nano-sized metal clusters can be
strongly dependent on their atomic structure and size. Over the past two decades, major …

The deposition of an atomically precise nanocluster, for example, Ag44 (SR) 30, onto a large‐
band‐gap semiconductor such as TiO2 allows a clear interface to be obtained to study …

Static polarizabilities and optical absorption spectra for the ground state structures of gold
clusters (Au n, n= 2–14 and 20) are investigated from first principles within static and time …

Thirty eight–atom binary clusters composed of elements from groups 10 and 11 of the
Periodic Table mixing a second-row with a third-row transition metal (TM)(ie, clusters …

Density functional theory (DFT) calculations confirm the structural stability of isomers for 13-
atom Ag, Cu, and AgCu nanoparticles. Ag13 and Cu13 nanoparticles have a different stable …

We performed a global-minimum search for low-lying neutral clusters (Au n) in the size
range of n= 15–19 by means of basin-hopping method coupled with density functional …