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 novel coronavirus 2019 (COVID-19) is a respiratory syndrome with similar traits to common pneumonia. This major pandemic has affected nations both socially and economically, disturbing everyday life and urging the scientific community to develop solutions for the diagnosis and prevention of COVID-19. Reverse transcriptase-polymerase chain reaction (RT–PCR) is the conventional approach used for detecting COVID-19. Nevertheless, the initial stage of the infection is less predictable in PCR tests, making early prediction challenging. A robust and alternative diagnostic method based on digital computerised technologies to support conventional methods would greatly help society. Therefore, this paper reviews recent research bas
... Show MoreThis paper deals with defining Burr-XII, and how to obtain its p.d.f., and CDF, since this distribution is one of failure distribution which is compound distribution from two failure models which are Gamma model and weibull model. Some equipment may have many important parts and the probability distributions representing which may be of different types, so found that Burr by its different compound formulas is the best model to be studied, and estimated its parameter to compute the mean time to failure rate. Here Burr-XII rather than other models is consider because it is used to model a wide variety of phenomena including crop prices, household income, option market price distributions, risk and travel time. It has two shape-parame
... Show MoreUltra-High Temperature Materials (UHTMs) are at the base of entire aerospace industry; these high stable materials at temperatures exceeding 1600 °C are used to manage the heat shielding to protect vehicles and probes during the hypersonic flight through reentry trajectory against aerodynamic heating and reducing plasma surface interaction. Those materials are also recognized as Thermal Protection System Materials (TPSMs). The structural materials used during the high-temperature oxidizing environment are mainly limited to SiC, oxide ceramics, and composites. In addition to that, silicon-based ceramic has a maximum-use at 1700 °C approximately; as it is an active oxidation process o
In this article, we aim to define a universal set consisting of the subscripts of the fuzzy differential equation (5) except the two elements and , subsets of that universal set are defined according to certain conditions. Then, we use the constructed universal set with its subsets for suggesting an analytical method which facilitates solving fuzzy initial value problems of any order by using the strongly generalized H-differentiability. Also, valid sets with graphs for solutions of fuzzy initial value problems of higher orders are found.
Analysis of image content is important in the classification of images, identification, retrieval, and recognition processes. The medical image datasets for content-based medical image retrieval ( are large datasets that are limited by high computational costs and poor performance. The aim of the proposed method is to enhance this image retrieval and classification by using a genetic algorithm (GA) to choose the reduced features and dimensionality. This process was created in three stages. In the first stage, two algorithms are applied to extract the important features; the first algorithm is the Contrast Enhancement method and the second is a Discrete Cosine Transform algorithm. In the next stage, we used datasets of the medi
... Show MoreZernike Moments has been popularly used in many shape-based image retrieval studies due to its powerful shape representation. However its strength and weaknesses have not been clearly highlighted in the previous studies. Thus, its powerful shape representation could not be fully utilized. In this paper, a method to fully capture the shape representation properties of Zernike Moments is implemented and tested on a single object for binary and grey level images. The proposed method works by determining the boundary of the shape object and then resizing the object shape to the boundary of the image. Three case studies were made. Case 1 is the Zernike Moments implementation on the original shape object image. In Case 2, the centroid of the s
... Show MoreIn this paper, the blow-up solutions for a parabolic problem, defined in a bounded domain, are studied. Namely, we consider the upper blow-up rate estimate for heat equation with a nonlinear Neumann boundary condition defined on a ball in Rn.
A Factorial Study for separation anxiety in students, of Baghdad City