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 …

Atomic clusters, consisting of a few to a few thousand atoms, have emerged over the past 40
years as the ultimate nanoparticles, whose structure and properties can be controlled one …

Atomic clusters composed of homo or heteroatomic species constitute an intermediate
phase of matter where every atom counts and whose properties depend on their size …

Atomistic structure prediction from “scratch” is one of the central issues in physical, chemical,
materials and planetary science, and it will inevitably play a critical role in accelerating …

Metal-encapsulated silicon cage clusters are a new class of clusters and are opening up
new avenues for silicon-based nanoscale materials. We present experimental evidence for …

The electronic properties of silicon clusters containing a transition or lanthanide metal atom
from group 3, 4, or 5, M Si n⁠,(⁠ M= Sc⁠, Ti, V, Y, Zr, Nb, Lu, Tb, Ho, Hf, and Ta) were …

Silicon clusters mixed with a transition metal atom, MSi n, were generated by a double-laser
vaporization method, and the electronic and geometric stabilities for the resulting clusters …

Employing first-principles methods, based on density functional theory, we report the ground
state geometric and electronic structures of gold clusters doped with platinum group atoms …

Structural and electronic properties of metal-doped silicon clusters MS ins (M= W, Zr, Os, Pt,
Co, etc.) in a large size range of 8≤ n≤ 20 are investigated via ab initio calculations …

We report the experimental discovery of extremely stable metal-encapsulated superatom
clusters of a group IVA element: AlPb 10+ and AlPb 12+. Ab initio density functional …