Within this work, to promote the efficiency of organic-based solar cells, a series of novel A-π-D type small molecules were scrutinised. The acceptors which we designed had a moiety of N, N-dimethylaniline as the donor and catechol moiety as the acceptor linked through various conjugated π-linkers. We performed DFT (B3LYP) as well as TD-DFT (CAM-B3LYP) computations using 6-31G (d,p) for scrutinising the impact of various π-linkers upon optoelectronic characteristics, stability, and rate of charge transport. In comparison with the reference molecule, various π-linkers led to a smaller HOMO–LUMO energy gap. Compared to the reference molecule, there was a considerable red shift in the molecules under study (A1–A4). Therefore, based on the analysis of energy level, A4 and A3 were shown to be promising non-fullerene acceptors with the designed donors for applications in solar cells. It is hoped that the current study would provide theoretical insights into the design and amplification of optoelectronic characteristics of suggested frameworks on a grand scale in comparison with the reference molecules.
The presence of construction wastes such as clay bricks, glass, wood, plastic, and others in large quantities causes serious environmental problems in the world. Where these wastes can be used to preserve the natural resources used in construction and reduce the impact of this problem on the environment, it also works to reduce the problem of high loads of concrete blocks. Clay bricks aggregate (AB) can be recycled as coarse aggregate and replaced with volumetric proportions of coarse aggregate by ( 5% and 10%), as well as the use of clay brick powder (PB) by replacing its weight of cement (5% and 10%) and reduced in the manufacture of concrete blocks (blocks). Four mixtures will be prepared and tested to learn how to re
... Show MoreThis work was carried out to investigate the shrinkage properties of insulator ceramic body, and the effect of changing the ratio of concentration of electrolyte solution on these properties. The electrical insulator body was prepared by using Iraqi local materials. These are :- kaolin Duakhla, Arudhuma Sand glass, and potash feldspar with weight percentage (45%, 25%,and 30%) respectively. The processes of milling, classification, mixing, forming and firing, through the process of mixing electrolyte solution and mineralizer were added at different concentrations for electrolyte solution, (1%, 0.7%, 0.5%, 0.2%, and 0.1%). The electrolyte solution was prepared by mixing sodium carbonate and sodium silicate by (2:1) ratio
... Show MoreIn this work, the technique of attenuation of gamma ray to calculate the density of comet nucleus materials (C/2009 P1 (GARRADD) at different range of energy (0.2- 0.9 MeV). also, the single scattering model for gamma rays has been assumed that photons reaching the detector with scattered only once in the material. The program has been designed and written in FORTRAN language (77 – 90) to calculate the density for molecules using Monte Carlo method was used to simulate the scattering and absorption of photons in semi- infinite material. Gamma ray interacts with the matter by three mainly interactions: Photoelectric effect, Compton scattering and Pair production (electron and positron). On the 137Cs source energy (662 keV), Compton scat
... Show MoreThis investigation aimed to explain the mechanism of MFCA by applying this method on air-cooled engine factory which was suffering from high production cost. The results of this study revealed that MFCA is a useful tool to identify losses and inefficiencies of the production process. It is found that the factory is suffering from high losses due to material energy and system losses. In conclusion, it is calculated that system losses are the highest among all the losses due to inefficient use of available production capacity.
S a mples of compact magnesia and alumina were evaporated
using CO2-laser .The
Processed powders were characterized by electron microscopy
and both scanning and transmission electron microscope. The results
indicated that the particle size for both powders have reduced largely
to 0.003 nm and 0.07 nm for MgO and Al2O3, with increasing in
shape sphericity.
Polyetheretherketone (PEEK) has favorable biomechanical properties to be used as an implant material. Unfortunately, it is hydrophobic and does not promote cellular adhesion, which could result in poor integration with bone tissue. Bio-functionalization of PEEK surface with osteogenic peptides derived from bone extracellular matrix proteins is an exciting approach to encourage bone formation around the implant. In the current study, bone-forming peptide-2 was immobilized on PEEK surface using two different methods, using dopamine and a diglycidyl ether as conjugate compounds, respectively. Peptide quantification test revealed that the two strategies resulted in the most amount of peptides were attached with 0.5 mM concentration and no furth
... Show MoreIn this research, the effect of electrode material on the parameters of the produced DBD plasma was investigated. First, a non-thermal plasma was created by applying a 15 kV AC voltage between two electrodes and using a glass plate as a dielectric barrier in the design Dielectric Barrier Discharge (DBD) plasma system. The obtained plasma spectrum was analyzed using optical emission spectroscopy to calculate plasma parameters by the Boltzmann plot method. Electrodes made of copper, aluminium, and stainless steel were employed in this research. Electron temperature ( ) for copper, aluminium, and stainless steel was found to be (1.398 eV), (1.093 eV) and (1.009 eV), respectively.
An analytical method and a two-dimensional finite element model for treating the problem of laser heating and melting has been applied to aluminum 2519T87and stainless steel 304. The time needed to melt and vaporize and the effects of laser power density on the melt depth for two metals are also obtained. In addition, the depth profile and time evolution of the temperature before melting and after melting are given, in which a discontinuity in the temperature gradient is obviously observed due to the latent heat of fusion and the increment in thermal conductivity in solid phase. The analytical results that induced by laser irradiation is in good agreement with numerical results.
In this paper waste natural material (date seed) and polymer particles(UF) were used for investigation of removal dye of the potassium permanganate. Also study effect some variables such as pH, dye concentration and adsorbent concentration on dye removal. 15 experimental runs were done using the itemized conditions designed established on the Box-Wilson design employed to optimize dye removal. The optimum conditions for the dye removal were found: (pH) 12, (dye con.) 2.38 ppm, (adsorbant con.) 0.0816 gm for date seed with 95.22% removal and for UF (pH) 12, (dye con.) 18 ppm, (adsorbant con.) 0.2235 gm with 91.43%. The value of R-square was 85.47% for Date seed and (88.77%) for UF.
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