The reaction paths of the C-C and C-H bond cleavage in the anthracene and phenanthrene aromatic molecules are studied by applying the ab-initio DFT method. It is found that the C-C bond cleavage proceeds via a singlet aromatic transition state, compelled through a disrotatoric ring opening reaction. A suprafacial H atom shift follows the transition state, leading to the formation of a methylene -CH2 and an acetylenic or allenic moiety. The calculated activation energies for anthracene range from 158.81-208.90 kcal/mol and the reaction energies from 96.106-156.976 kcal/mol. For phenanthrene, the energy values are 157.39-202.34 kcal/mol and 62.639-182.423 kcal/mol, respectively. For the C-H cleavage reactions, the calculated reaction energies

Exploding wire Technique is a way for production metal and its compound nanoparticle that is capable of production of bulk amount at low cost semiconductor. In this work a copper iodine nanoparticles were fabricate by exploding copper wires with different currents in iodine solution. The produced samples were examined by XRD, FTIR, SEM and TEM to characterize their properties. The XRD proved the Nano-size for producer. The crystalline size increases with increasing current. FTIR measurements show a peaks located at 638.92 for Cu-I stretch bond indicate on formation of copper iodide compound and the peaks intensities increase with increasing current. The SEM and TEM measurements show that the thin films have nanostructures.

A numerical computation for determination transmission coefficient and resonant tunneling energies of multibarriers heterostructure has been investigated. Also, we have considered GaN/Al_0.3Ga_0.7N superlattice system to estimate the probability of resonance at specific energy values, which are less than the potential barrier height. The transmission coefficient is determined by using the transfer matrix method and accordingly the resonant energies are obtained from the T(E) relation. The effects of both well width and number of barriers (N) are observed and discussed. The numbers of resonant tunneling peaks are generally increasing and they become sharper with the increasing of N. The resonant tunneling levels are sh

A numerical computation for determination transmission coefficient and resonant tunneling energies of multibarriers heterostructure has been investigated. Also, we have considered GaN/Al0.3Ga0.7N superlattice system to estimate the probability of resonance at specific energy values, which are less than the potential barrier height. The transmission coefficient is determined by using the transfer matrix method and accordingly the resonant energies are obtained from the T(E) relation. The effects of both well width and number of barriers (N) are observed and discussed. The numbers of resonant tunneling peaks are generally increasing and they become sharper with the increasing of N. The resonant tunneling levels are shifted inside the well by

Thin films of Zinc Selenide ZnSe have been prepared by using thermal evaporation in vacuum technique (10-5Torr) with thickness (1000, 2700, 4000) A0 and change electrode material and deposited on glass substrates with temperature (373K) and study some electrical properties at this temperature . The graphs shows linear relation between current and voltage and the results have shown increases in the value of current and electrical conductivity with increase thickness and change electrode material from Aluminum to Copper

AgInSe2 (AIS) thin films solar cell involving of n-type AgInSe2 and Si of p-type substrate by using thermal evaporation method. The influence of annealing of the preparation AgInSe2 were considered to find the best properties of solar device. Thin film AIS have been deposited under the vacuum of 1.5*10-6 Torr with (400) nm thickness at R.T and annealing temperatures (473,573) K. Polycrystalline tetragonal structure for AIS thin films from XRD and increasing of surface roughness from AFM, energy gap values decreasing with increasing annealing temperatures, all films were negative type, I-V characteristics show increasing of efficiency with increasing of annealing temperatures.

BaTiO3 thin films have been deposited on Si (111) and glass substrates by using pulsed laser deposition technique. The films were characterized by using X-ray diffraction, atomic force microscope and optical transmission spectra. The films growth on Si after annealing at 873K showed a polycrystalline nature, and exhibited tetragonal structure, while on glass substrate no growth was noticed at that temperature. UV-VIS transmittance measurements showed that the films are highly transparent in the visible wavelength region and near-infrared region for sample annealing on glass substrate. The optical gap of the film were calculated from the curve of absorption coefficient (αhν) 2 vs. hν and was found tobe 3.6 eV at substrate temperature 5