Nature has in store a limited number of favorite shapes that are continuously rediscovered in
unrelated fields. The honeycomb structures belong to that category. Made of planar …

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Atomic clusters are aggregates of atoms containing a few to several thousand atoms. Due to
the small size of these pieces of matter, the properties of atomic clusters in general are …

The effect of metallic (Fe, Cu, Co, Ni, Ti) and non-metallic additives (Si, B) on the formation of
fullerenes from graphite powders was studied in radiofrequency (RF) thermal plasma. The …

Thermal treatment of carbon soot produced by arc evaporation of nickel-filled graphite rods
in 500 Torr of helium gives giant fullerenes showing characteristic IR, Raman, NMR and …

Using a density-functional based algorithm, the full infrared and Raman spectra are
calculated for the neutral Ti 8 C 12 cluster assuming geometries of T h, T d, D 2 d, and C 3 v …

Elementary reaction steps and barriers for thiophene hydrodesulfurization (HDS) on a
Ti8C12 nanoparticle were investigated using density functional theory. It is found that …

Nanoparticles are extensively used for various applications in science, engineering and
medicine. Synthesis of nanoparticles with high purity is essential to utilize the same in …

Currently there is extensive interest in systems of finite size as they often give rise to unique
properties that differ from those of an extended solid or the individual molecular constituents …

The infrared (IR) spectra of cuboidic titanium carbide (TiC) nanocrystals have been studied
at the density-functional-theory (DFT) level using the Becke− Perdew (BP) functional and …