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 …

Mn-doped CsPbBr3 perovskite magic sized clusters (PMSCs) are synthesized for the first
time using benzoic acid and benzylamine as passivating ligands and MnCl2· 4H2O and …

Assemblies of clusters have been sought for a long time to synthesize new materials with
unprecedented physical phenomena or to integrate desired functionalities for technological …

The geometries, electronic, and magnetic properties of the 3d transition-metal-doped gold
cluster: M@ Au6 clusters (M= Sc, Ti, V, Cr, Mn, Fe, Co, Ni) have been systematically …

Superatoms hold great potential for creating novel crystals, yet the effect of resulting
superatomic-based defects on the properties remains unclear. Here, we explore the effects …

The geometric, spectroscopic, and electronic properties of neutral yttrium‐doped gold
clusters AunY (n= 1–9) are studied by far‐infrared multiple photon dissociation (FIR‐MPD) …

A systematic quantum chemical investigation on the electronic, geometric and energetic
properties of AunV clusters with n= 1–14 in both neutral and anionic states is performed …

The structural evolutions and electronic properties of bimetallic Au n–x Pt x (n= 2–14; x⩽ n)
clusters are investigated by using the density functional theory (DFT) with the generalized …

The electronic structure and properties of pristine gold clusters Au n as well as the alkali-
metal-and hydrogen-atom-doped clusters Au n− 1X, where n= 2− 8 and X= Li, Na, and H …

We have demonstrated the electronic structures and magnetic properties of single 3 d
transition metal (TM) atoms encapsulated in noble metal clusters with icosahedral symmetry …