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The atomic and electronic structures of single-crystalline aluminum nitride nanowires (AINNWs) and thick-walled aluminum nanotubes (AINNTs) with the diameters ranging from 0.7 to 2.2 nm are explored. Results reveal that the preferable lateral facets of AINNWs and thick-walled AINNTs are {1010} surfaces, giving rise to hexagonal cross sections.

Silica nanoclusters based on uniformly hybrid two- (2MR) and three-membered-ring (3MR) units are studied. These nanoclusters may present with well-defined stoichiometric ringed, porous (tubular), and cagelike structures.

Several density-functional calculations are conducted to explain the electronic structure and properties exhibited by the ZnO/GaN-core/shell nanowires. The various effects of quantum confinement on the band gaps of the system are also analyzed.

Several first-principles calculations are conducted to analyze the stable configurations and the electronic properties exhibited by the different ZnS nanofilms derived from different surfaces. The formation energies of the nanofilms are shown to be inversely proportional to the thicknesses of the films.

Several density-functional theory calculations are conducted to explain the electronic structures of the negatively-charged nitrogen-silicon-vacancy center present in cubic silicon carbide (3C-SiC). The results demonstrate that the 3C-SiC compound can be easily employed for the generation of a solid state qubit operation.

Several first-principles calculations are conducted to explain the geometric, as well as the electronic properties of the different BN/C nanotube heterostructures. The interfaces of these compounds are shown to be free from bond mismatch and defects.

The optical emission studies on the plasma generated by nanosecond radiation of the 532 and 1064 nm lasers on KTiOAs[O.sub.4] (KTA) samples are reported. The results showed that the amount of evaporated matter in plasma evolution depends on the laser wavelength and could be applied to optimize the growth of KTA thin films by using pulsed laser deposition.

Several studies are conducted to examine the surface and the electronic structures of silicon nanotubes that are stabilized by incorporating oxygen atoms in them. These tubes are found to have several energetic advantages over the conventional tubes.

The hydrogen recombination reaction and the hydrogen exchange reaction inside a single-walled carbon nanotube are described using quantum mechanics molecular dynamics solutions. The process of the reaction of individual H atoms to form H2 molecules, H2 molecular condensation to form clusters and finally to form condensed H2 molecular lattice are given in detail.

Calculations for possible configurations of nitrogen-containing single-walled carbon nanotubes and their electronic properties are presented. Studies suggest a potential method to control the electronic properties of nitrogen-doped carbon nanotubes.