To investigate the electromagnetic interaction of molecules inside the nanotubes, first, the structure of nanotubes B16N16 was optimized with hybrid density functional theory (B3LYP) using the EPR-II basis set, then Cu, Cu+, Cu++ were located in nanotube and we studied the total energy, band gap energy, electrical potential, changes of band gap energy in terms of total energy and dipole moment ...

in this work facile sol-gel (pechni) method has been successfully established to synthesize zn4b6o13 nanocrystals which have cubic crystals with lattice parameter: a =7.48 a. the structure and morphology of the obtained material were studied by x-ray diffraction (xrd), infrared spectra (ir), scanning electron microscopy (sem) and photoluminescence analysis. the experimental results show a band ...

Self-consistent numerical calculation and photoluminescence (PL) measurements have been used to investigate the temperature dependence of the optical Stark e ect in n-doped GaAs/AlGaAs single asymmetric quantum wells (SAQWs), grown by molecular beam epitaxy. In the low-temperature regime (5 to 40 K) a remarkable blue shift (9.8 meV) is observed in the PL peak energy, as the optical excitation i...

High precision absolute measurements of the ionization energy (e) for alpha particles and electrons have been made in two thick high purity silicon guard ring detectors between 100 K and 250 K. At a fixed energy (E) both Eo and cewere found to vary linearly (r = 0.999) with the band gap (WG). 6cx and Cealso increased with E and Ee# E-a. The slope (^Ca/AWG) = 1.83 + 0.04 is the lowest so far rep...

Abstract The effect of anharmonicity (coupling) in the field theory generally results dissipation plane waves. It has been appreciated that and ensuing waves can be accompanied by emergence gapped momentum state. Here, we show same lead to a energy state dispersion relation where frequency (energy) gap emerges explicitly. We discuss several notable properties states connections between them.

This thesis reports measurements concerning quantum size effects of single crystalline metallic islands by using low-temperature scanning tunneling microscopy (STM) and spectroscopy (STS). Different sample systems are presented in the following chapters. In chapter 2, several aspects of quantum well states (QWS) of Pb ultrathin islands grown on Si(111) substrate are reported. The differential c...

the effect of impurities on quantum chemical parameters of single-walled nanotubes (swnts) was studied using density functional theory (dft). the density of states (dos), fermi energy and thermodynamic energies of (5,5) carbon nanotubes were calculated in the presence of nitrogen impurity. it was found that this nanotube remains metallic after being doped with one nitrogen atom. the partial den...

To highlight the growth of e-government and the importance of its services it is essential to evaluate the performance of the service delivery to customers. Research indicates that traditional performance indexes are not suitable for this evaluation; moreover, it is noticeable that the e-government services are intangible and invisible. Among different e-government services, measurement of qual...

A large solvent polarity effect on the rate of singlet to triplet intersystem crossing (ksT) has been observed in the carbenes, diphenylcarbene (DPC) and dicycloheptadienylidene (DCHD)it is found that both ksT and the energy splitting (A&T) separtaing the singlet and triplet states decrease as the solvent polarity increases for the aromatic carbenes. This “inverse” gap effect, i.e. the time for...