Subnanometric transition-metal (TM) clusters have attracted great attention due to their
unexpected physical and chemical properties, leastwise compared to their bulk …

The magnetic property and electronic properties such as ionization potentials and electron
affinities of the Ni n (n⩽ 30) neutral and ionic clusters have been studied using the density …

Using spin polarized density functional theory based calculations, combined with ab initio
molecular dynamics simulation, we carry out a systematic investigation of the bimetallic Ni …

We present a study on the structural, electronic, and magnetic properties of Fe n (n= 2− 20)
clusters by performing density functional tight binding (DFTB) calculations within a basin …

The three well-known orderings of the two constituting atomic species in a bimetallic nano-
alloy–core–shell, Janus and mixed structural patterns–may be interconvertible depending …

The structure, chemical order, and magnetic behavior in small FeRh clusters having N≤ 19
atoms have been investigated theoretically. For N≤ 6 atoms, a thorough global geometry …

The influence on the growth of cobalt (Co)-based nanostructures of a surface carbide (Ni2C)
layer formed at the Ni (100) surface is revealed via complementary scanning tunneling …

The effect of spin-orbit interaction on the structures and magnetism of Co n Rh 13− n (n= 0–
13) clusters have been systematically investigated by using the spin-orbit coupling (SOC) …

Sorbitol, short chain molecules, have been used to stabilise of Fe@ FeO x nanoparticles
produced in the gas phase under the ultra-high vacuum (UHV) conditions. The sorbitol …

Structural, mixing vs segregation, and electronic properties of Cd-doped and Cr-doped
ultrasmall NiAg nanoclusters have been analyzed here using first principles density …