Shape coexistence in nuclei appears to be unique in the realm of finite many-body quantum
systems. It differs from the various geometrical arrangements that sometimes occur in a …

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 …

Abstract (Mn, Co) co-doped ZnO nanoparticles (NPs) were synthesized using the sol-gel
method. Rietveld refined XRD patterns indicated that the NPs exhibited hexagonal wurtzite …

The CO 2 electroreduction is always impeded by the low activity and selectivity on single
atom catalysts (SAC). The regulation of the curvature of the substrate is a promising strategy …

The structural, electronic, and magnetic properties of Con (n⩽ 6) clusters and their anions
have been investigated using the density functional theory with effective core potentials and …

The structural, electronic, and magnetic properties of small Fe m Rh n clusters having N= m+
n≤ 8 atoms are studied in the framework of a generalized-gradient approximation to density …

Structures and physicochemical properties of V-doped Co 13 clusters have been studied in
detail using density-functional-theory-based first-principles method. We have found …

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 …

Binary XY clusters, with X, Y∊{Mn, Fe, Co, Ni}, are investigated within first-principles
simulations in the framework of density-functional theory. In the case of Co-Mn, the increase …

Spin-polarized density functional theory calculations on bimetallic Con− 1Mn and Con− 1V
(n= 2–9) clusters are reported. The clusters exhibit high stability at n= 6. With the exception …