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 …

Clusters that mimic elemental atoms in the periodic table are known as superatoms which
open up a new window to design functional materials and catalysts by atomic construction …

Magnetic clusters are aggregates of a few to thousands of atoms or molecules that exhibit
magnetism. Understanding the evolution of magnetism from individual atom to bulk solid is …

Nanosized clusters are drawing immense attention of the scientific community due to their
size and composition dependent tunability of physical and chemical properties. Silicon …

Achieving stable high-magnetism light-element structures at nanoscale is vital to the field of
magnetism, which has traditionally been ruled by transition-metal elements with localized d …

The atomic structures, bonding characteristics, spin magnetic moments, and stability of VCu
x+, VAg x+, and VAu x+(x= 3–14) clusters were examined using density functional theory …

We demonstrated a first-principles investigation to search for magnetic superatoms in the
vanadium-doped lithium clusters VLi n (n= 1–13). The stabilities of VLi n clusters were …

We propose a series of icosahedral matryoshka clusters of A@ B12@ A20 (A= Sn, Pb; B=
Mg, Zn, Cd), which possess large HOMO-LUMO gaps (1.29 to 1.54 eV) and low formation …

The intriguing and challenge issue in magnetic superatoms is searching for the suitable
candidates to validate the Hund's rules. Here, early actinide elements (An: Ac, Th, Pa, U, Np …

Chirality, also called handedness, plays a crucial role in function ranging from biological self-
assembly schemes, organic polymer functionalities, to optical material designs. In this …