Abstract: Electrical sensitivity of a boron nitride nanotube (BNNT) was examined toward ethyl acetylene (C4H6) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (Ead) of ethyl acetylene the pristine nanotubes is about -1.60kcal/mol. But when nanotube has been doped with Si an...

Electrical sensitivity of a Boron Nitride Nano Sheet (BNNS) to phosphine (PH3) molecule is studied using Density Functional Theory (DFT) calculations at the B3LYP/6-31G(d) level of theory. The adsorption energy (Ead) of phosphine on the surface of the pristine Nanosheet is about -678.96×1019eV. Pristine BNNS is a suitable adsorbent for phosphine and can be u...

Electrical sensitivity of a beryllium oxide nanotube (BeONT) was examined toward aniline (C6H5 NH2) molecule by using Density Functional Theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (Ead) of aniline on the pristine nanotubes is about -19.06kcal/mol. However, when nanotube has been doped by P a...

The energy source of a pulsar's non-thermal emission is the rotational energy loss of the neutron star. The rotational energy of the neutron star is transformed into the pulsar radiation by a long sequence of processes. The processes of this sequence are discussed. 1. Introduction The current sample of radio pulsars contains about six hundred pulsars (e.g., Taylor et al. 1993). The radio lumino...

in this study the chemical properties of b6c4si and c16 clusters connected vitamin c have been investigated using density functional theory (dft). nmr parameters and homo- lumo gap energy are calculated by using density functional method (b3lyp) with 6-311g* basis set. calculations show that homo- lumo gap energy of vitamin c decreases after connecting to b6c4si or c16 cluster decreasing of hom...

We have performed magnetotransport measurements on gated GaAs two-dimensional electron gases in which electrons are confined in a layer of the nanoscale. From the slopes of a pair of spin-split Landau levels (LLs) in the energy-magnetic field plane, we can perform direct measurements of the spin gap for different LLs. The measured g-factor g is greatly enhanced over its bulk value in GaAs (0.44...

The optical transmission spectrum of [111](c) poled relaxor-based ferroelectric single crystal 0.93Pb(Zn(13)Nb(23))O(3)-0.07PbTiO(3) (PZN-0.07PT) was measured in the range of ultraviolet to near infrared. The optical absorption edge has been determined and the wavelength dependence of the absorption coefficient was calculated. The direct energy gap E(gd)=3.144 eV, indirect energy gap E(gi)=2.91...

Ž . Ž . We use inverse photoelectron spectroscopy IPES and ultraviolet photoelectron spectroscopy UPS to investigate Ž . unoccupied and occupied electronic states of five organic semiconductor materials: CuPc copper phthalocyanine , PTCDA Ž . Ž . Ž X X Ž . X 3,4,9,10-perylenetetracarboxylic dianhydride , a-6T a-sexithiophene , a-NPD N,N -diphenyl-N,N -bis l-naphthyl -l,l XX . Ž Ž . . biphenyl-4...

New calculation reveals that E is constant in a thin layer across the Fermi surface, befitting the definition of energy gap parameter, ∆ varies dramatically. The BCS self-consistent equation has a simple and exact solution, showing that the well-known ratio 3.5 must be replaced by 4. A simple formula is found to estimate energy gap from first principles with reasonable accuracy, useful to the c...