Preferred Language
Articles
/
lhYqt4cBVTCNdQwCwV7C
Design new D-π-A materials for sensitizers for dye-sensitized solar cells: Quantum chemical study

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.

Scopus Clarivate Crossref
View Publication
Publication Date
Sun Jul 04 2010
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Black Cumin Oil: A New Treatment for Palmoplantar Psoriasis.

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

... Show More
Crossref
View Publication Preview PDF
Publication Date
Thu Dec 01 2016
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
A NEW RECORD OF ZIZIPHORA SPECIES (LAMIACEAE) FOR IRAQ

    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.

View Publication Preview PDF
Publication Date
Tue Apr 02 2024
Journal Name
Advances In Systems Science And Applications
Scopus
View Publication
Publication Date
Tue Feb 28 2023
Journal Name
Iraqi Journal Of Science
Applications of the Finite Operator〖 〗_3 E_2 (■(q^(-N),a,b@c,d);q,-fθ) for the Polynomials B_n (a,b,c,d,f,x,y|q)

     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 .

Scopus (6)
Crossref (2)
Scopus Crossref
View Publication Preview PDF
Publication Date
Tue Mar 12 2024
Journal Name
Semiconductor Physics, Quantum Electronics And Optoelectronics
Numerical study of single-layer and interlayer grating polarizers based on metasurface structures for quantum key distribution systems

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 More
Scopus Clarivate Crossref
View Publication Preview PDF
Publication Date
Thu Dec 23 2021
Journal Name
Iraqi Journal Of Science
Structural, Optical and Morphological Characterization of Cdse/Cds Core / Shell Quantum Dots Synthesized via Chemical Bath

     CdSe/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.

Scopus (3)
Crossref (3)
Scopus Crossref
View Publication Preview PDF
Publication Date
Thu Dec 23 2021
Journal Name
Iraqi Journal Of Science
Performance Enhancement of P3HT: ZnO Solar Cells by Incorporating Metal Oxide Fe2O3 Nanoparticles

     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 More
Scopus (3)
Crossref (3)
Scopus Crossref
View Publication Preview PDF
Publication Date
Sun Apr 30 2023
Journal Name
Iraqi Journal Of Science
Quantum Mechanical Calculations for Some PINH Cs Symmetry Schiff Bases as Corrosion Inhibitors for Mild Steel

Density 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 More
View Publication Preview PDF
Publication Date
Sun Feb 10 2019
Journal Name
Journal Of The College Of Education For Women
DESIGN AND IMPLEMENTATION AN IRAQI CITIES DATABASE USING K-D TREE

This 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).

View Publication Preview PDF
Publication Date
Tue Apr 21 2020
Journal Name
University Of Thi-qar Journal Of Science (university Of Thi-qar Journal Of Science (utsci) The 4th Scientific Conference Of Science College/ University Of Thi_qari) The 4th Scientific Conference Of Science College/ University Of Thi_qar
Preview PDF