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 …

Traditionally, the primary field, where curvature has been at the heart of research, is the
theory of general relativity. In recent studies, however, the impact of curvilinear geometry …

The TM-doped Si-based semiconductor clusters have aroused increased attention in a lot of
fields. Here, we have performed a structural search of the global minimum for neutral and …

Unusual physical properties of single-wall carbon nanotubes have started a search for
similar tubular structures of other elements. In this paper, we present a theoretical analysis of …

Nanotechnology is a culmination of many facets of scientific and technological
developments in the nanorealm, including nanofabrication, nanomachineries, quantum …

Vanadium-doped small silicon clusters, VSin-and V2Sin-(n= 3–6), have been studied by
anion photoelectron spectroscopy. The vertical detachment energies (VDEs) and adiabatic …

Silicon nanomaterials and nanostructures exhibit different properties from those of bulk
silicon materials based on quantum confinement effects. They are expected to lead to the …

Conventional magnetic order in a material requires the partially filled d or f bands. The
exchange interactions between the electrons in these partially filled bands give rise to a …

Using the first principles method, we have investigated the electronic properties of Si-based
single-walled nanotubes with different diameters and chiral vectors. The electronic …

Our studies show that VSi12− adopts a V-centered hexagonal prism with a singlet spin state.
The addition of the second V atom leads to a capped hexagonal antiprism for V2Si12− in a …