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.
Equilibrium adsorption isotherm for the removal of trifluralin from aqueous solutions using ? –alumina clay has been studied. The result shows that the isotherms were S3 according Giels classification. The effects of various experimental parameters such as contact time, adsorbent dosage, effect of pH and temperature of trifluralin on the adsorption capacities have been investigated. The adsorption isotherms were obtained by obeying freundlich adsorption isotherm with (R2 = 0.91249-0.8149). The thermodynamic parameters have been calculated by using the adsorption process at five different temperature, the values of ?H, ?G and ?S were (_1.0625) kj. mol-1, (7.628 - 7.831) kj.mol-1 and (_2.7966 - _2.9162) kg.
... Show MoreGeneralized Additive Model has been considered as a multivariate smoother that appeared recently in Nonparametric Regression Analysis. Thus, this research is devoted to study the mixed situation, i.e. for the phenomena that changes its behaviour from linear (with known functional form) represented in parametric part, to nonlinear (with unknown functional form: here, smoothing spline) represented in nonparametric part of the model. Furthermore, we propose robust semiparametric GAM estimator, which compared with two other existed techniques.
The Dagum Regression Model, introduced to address limitations in traditional econometric models, provides enhanced flexibility for analyzing data characterized by heavy tails and asymmetry, which is common in income and wealth distributions. This paper develops and applies the Dagum model, demonstrating its advantages over other distributions such as the Log-Normal and Gamma distributions. The model's parameters are estimated using Maximum Likelihood Estimation (MLE) and the Method of Moments (MoM). A simulation study evaluates both methods' performance across various sample sizes, showing that MoM tends to offer more robust and precise estimates, particularly in small samples. These findings provide valuable insights into the ana
... Show MoreAccording to the current situation of peroxidase (POD), the relevant studies on this enzyme indicated its importance as a tool in clinical biochemistry and different industrial fields. Most of these studies used the fruits and vegetables as source of this enzyme. So that in order to couple the growing requirements for POD with the recent demands for reduc-ing disposal volume by recycling the plant waste, the aim of the present study was to extract POD through management of municipal bio-waste of Iraqi maize species. A simple, green and economical method was used to extract this enzyme. Our results revealed that maize cobs are rich sources of POD, where the activity of this enzyme was found to be 7035.54 U/g of cobs. In pilot experiments thi
... Show MoreCognitive radios have the potential to greatly improve spectral efficiency in wireless networks. Cognitive radios are considered lower priority or secondary users of spectrum allocated to a primary user. Their fundamental requirement is to avoid interference to potential primary users in their vicinity. Spectrum sensing has been identified as a key enabling functionality to ensure that cognitive radios would not interfere with primary users, by reliably detecting primary user signals. In addition, reliable sensing creates spectrum opportunities for capacity increase of cognitive networks. One of the key challenges in spectrum sensing is the robust detection of primary signals in highly negative signal-to-noise regimes (SNR).In this paper ,
... Show MoreIn this research, the results of x-ray diffraction method were used to determine the uniform stress deformation and microstructure parameters of CuO nanoparticles to determine the lattice strain obtained and crystallite size and then to compare the results obtained by two model Halder Wagner and Size Strain Plot with the results of these methods of the same powder using equations during which the calculation of the size of the crystallite size and lattice strain, It was found that the results obtained the values of the crystallite size (19.81nm) and the lattice strain (0.004065) of the Halder-wagner model respectively and for the ssp method were the results of the crystallite size (17.20nm) and lattice strain (0.000305) respectively. The sa
... Show MoreRecently, complementary perfect corona domination in graphs was introduced. A dominating set S of a graph G is said to be a complementary perfect corona dominating set (CPCD – set) if each vertex in is either a pendent vertex or a support vertex and has a perfect matching. The minimum cardinality of a complementary perfect corona dominating set is called the complementary perfect corona domination number and is denoted by . In this paper, our parameter hasbeen discussed for power graphs of path and cycle.