Within this paper, we developed a new series of organic chromophores based on triphenyleamine (TPA) (AL1, AL-2, AL-11 and AL-22) by engineering the structure of the electron donor (D) unit via replacing a phenyle ring or inserting thiophene as a π-linkage. For the sake of scrutinizing the impact of the TPA donating ability and the spacer upon the photovoltaic, absorptional, energetic, and geometrical characteristic of these sensitizers, density functional theory (DFT) and time-dependent DFT (TD-DFT) have been utilized. According to structural characteristics, incorporating the acceptor, π-bridge and TPA does not result in a perfect coplanar conformation in AL-22. We computed EHOMO, ELUMO and bandgap (Eg) energies by performing frequency and ground-state calculations. Next, we performed TD-CAM-B3LYP calculations to compute oscillator strength (f) and the maximum adsorption wavelength (λmax). The absorption bands were extended up to ∼ 647 nm for AL-22. The findings demonstrated that AL-22 is the most promising dye among other dyes.
Background: Palmoplantar psoriasis is a therapeutically challenging condition that can significantly impact patient quality of life as it directly affects activities. However, despite this impact, few clinical studies address treatment. Herbs and their extracts have been used for treatment of skin disease for centuries. One of the most popular herbs in our society is black cumin or seed of blessing oil (Nigella Sativa); this plant had diverse clinically useful activity.
Patients and Methods: This study was conducted in the Department of Dermatology and Venereology in Baghdad Teaching Hospital, Iraq during the period between January and October 2003. In this singleblind randomly controlled therapeutic stud
Ziziphora persica Bunge is recorded as a new Study in Iraq. This species has been collected from Jabal Sinjar in Nineveh province in the north western part of Iraq. The morphological characters, habitat and geographical distribution of the species with a key to Ziziphora L. species in Iraq have been provided.
In this work, polynomials and the finite q-exponential operator are constructed. The operator is used to combine an operator proof of the generating function with its extension, Mehler's formula with its extension and Roger's formula for the polynomials . The generating function with its extension, Mehler's formula with its extension and Rogers formula for Al-Salam-Carlitz polynomials are deduced by giving special values to polynomials .
Polarization is an important property of light, which refers to the direction of electric field oscillations. Polarization modulation plays an essential role for polarization encoding quantum key distribution (QKD). Polarization is used to encode photons in the QKD systems. In this work, visible-range polarizers with optimal dimensions based on resonance grating waveguides have been numerically designed and investigated using the COMSOL Multiphysics Software. Two structures have been designed, namely a singlelayer metasurface grating (SLMG) polarizer and an interlayer metasurface grating (ILMG) polarizer. Both structures have demonstrated high extinction ratios, ~1.8·103 and 8.68·104 , and the bandwidths equal to 45 and 55 nm for th
... Show MoreCdSe/CdS Core/shell nanostructures were prepared through the chemical synthesis method. XRD ,FESEM and TEM investigations confirmed the formation of core/shell structure for the sample. The AFM measurement was employed to reveal the morphology of the prepared thin films. Optical characterizations of the quantum dots were done by UV-visible and photoluminescence spectra. It was found that the quantum dots prepared has good optical properties. Due to the presence of shell coating on core CdSe, the energy gap of the core/shell nanomaterial were increased from 2.2 to 2.3eV. The resulted QDs are a promising candidate for photovoltaic and biosensor applications.
The ferric oxide nanoparticles (Fe2O3) which are deposited at interface which is related to hole collecting buffer layer [poly(3,4-ethyl-enedioxythiophene): poly(styrene-sulfonate) (PEDOT: PSS)] as well as regioregular poly(3-hexyl-thiophene): Zinc oxide nanoparticles (P3HT): (ZnO) active layer have been considerable increasing the performance of solar cell. Also, the solar cell devices have been fabricated with a weight ratio of 1:0.7, 1:0.8, 1:0.9 and 1:1 of P3HT and ZnO, respectively. In addition, photo physical characteristics regarding such devices with different value of the weight ratio were examined. This work is indicating that the absorption spectrum related to blend will be broad
... Show MoreDensity Functional Theory (DFT) at the B3LYP/6-311G basis set level was performed on six new substituted Schiff base derivatives of PINH [(phenylallylidene) isonicotinohydrazide], The calculated quantum chemical parameters correlated to the inhibition efficiency are EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy), the energy gap [ΔE(HOMO-LUMO)], hardness (η), softness (S), dipole moment (μ), electron affinity (EA), ionization potential (IE), the absolute electronegativity (χ), Global electrophilicity index ( ) and the fraction of electron transferred (ΔN), all have discussed at their equilibrium geometry and their correct symmetry (Cs). Comparisons of the order of inhibition effi
... Show MoreThis research include design and implementation of an Iraqi cities database using spatial data structure for storing data in two or more dimension called k-d tree .The proposed system should allow records to be inserted, deleted and searched by name or coordinate. All the programming of the proposed system written using Delphi ver. 7 and performed on personal computer (Intel core i3).