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 primary objective of this study was to identify the mechanisms for the development and propagation of longitudinal cracks that initiate at the surface of composite pavement. In this study the finite element program ANSYS version (5.4) was used and the model worked out using this program has the ability to analyze a composite pavement structure of different layer properties. Also, the aim of this study was modeling and analyzing of the composite pavement structure with the physical presence of crack induced in concrete underlying layer. The results obtained indicates that increasing the thickness of the asphalt layer tends to decrease the stress intensity factor, which may be attributed to the rapidly decrease of horizontal tensile st
... Show MoreAnise and thyme crude extract were used to prepare a lotion for topical application due to their antimicrobial, germicidal and antifungal effects. Two formulas were prepared using the mentioned natural plants, formula 2 (selected lotion) was the most acceptable one which contained veegum and xanthan gum as suspending agents in addition to other exceipients providing it good properties with high physical stability because of its flocculating, pouring, resuspending easily with sedimentation volume (F) 0.96. In addition to unchangeable odor and color with expiration date of one year. While the Preliminary clinical study was done using this lotion on 10 patients with infecious viral skin diseases, it was found that this lotion was successful
... Show MoreConstruction is a complicated process that takes place in an almost uncontrollable environment. Although projects can be carefully planned in advance in principle, there is a chance that unforeseen events and crises can disrupt these plans, affecting project development. Because the initial investment expenditures in construction projects are so large, they may be quickly influenced by crises, resulting in significant financial losses. The 2014 financial crisis was one of the most prominent crises that Iraq faced, which significantly impacted various activities in general and the construction industry in particular. Despite the importance of crisis management systems, the researchers found a great lack of local studies looking at cr
... Show MoreThe research problem arose from the researchers’ sense of the importance of Digital Intelligence (DI), as it is a basic requirement to help students engage in the digital world and be disciplined in using technology and digital techniques, as students’ ideas are sufficiently susceptible to influence at this stage in light of modern technology. The research aims to determine the level of DI among university students using Artificial Intelligence (AI) techniques. To verify this, the researchers built a measure of DI. The measure in its final form consisted of (24) items distributed among (8) main skills, and the validity and reliability of the tool were confirmed. It was applied to a sample of 139 male and female students who were chosen
... Show MoreSurvivin, a member of inhibitor of apoptosis family is increasingly used as a target for cancer therapy design because it has a key role in cell growth and inhibition of cell apoptosis. Also it can be used as a biomarker for targeting cancer because it is found in almost all cancer but not normal cells. Our strategy was to design (computationally) a molecule to be used as survivin inhibitor. This molecule was named lead10 and was used furthermore to find (virtually) existing drugs with a good survivin inhibition activity.
Surface modeling utilizing Bezier technique is one of the more important tool in computer aided geometric design (CAD). The aim of this work is to design and implement multi-patches Bezier free-form surface. The technique has an effective contribution in technology domains and in ships, aircrafts, and cars industry, moreover for its wide utilization in making the molds. This work is includes the synthesis of these patches in a method that is allow the participation of these control point for the merge of the patches, and the confluence of patches at similar degree sides due to degree variation per patch. The model has been implemented to represent the surface. The interior data of the desired surfaces designed by M
... Show MoreIn wireless broadband communications using single-carrier interleave division multiple access (SC-IDMA) systems, efficient multiuser detection (MUD) classes that make use of joint hybrid decision feedback equalization (HDFE)/ frequency decision-feedback equalization (FDFE) and interference cancellation (IC) techniques, are proposed in conjunction with channel coding to deal with several users accessing the multipath fading channels. In FDFE-IDMA, the feedforward (FF) and feedback (FB) filtering operations of FDFE, which use to remove intersymbol interference (ISI), are implemented by Fast Fourier Transforms (FFTs), while in HDFE-IDMA the only FF filter is implemented by FFTs. Further, the parameters involved in the FDFE/
... Show MoreMass transfer was examined at a stationary rectangular copper electrode (cathode) by using the reduction of cupric ions as the electrochemical reaction. The influence of electrolyte temperature (25, 45, and 65 oC), and cupric ions concentration (4, 8, and 12 mM) on mass transfer coefficient were investigated by using limiting current technique. The mass transfer coefficient and hence the Sherwood number was correlated as Sh =
This study investigated the feasibility of anaerobic co-digestion of giant reed (GR) inoculated with waste manure as a co-substrate for biogas production. The performance of co-digestion was evaluated in 4 anaerobic digesters operated in batch mode at different conditions. The effects of alkali pretreatment with NaOH (4% w/v) solution, inoculum type, and thermal condition were studied. The results demonstrated that the alkali-pretreatment of GR enhanced the biogas generation by about 15% at mesophilic conditions. Thermophilic conditions enhanced the biogas recovery from both alkali-free and alkali pretreated GR by 15% and 127%, respectively. The kinetic study of the co-digestion process of GR for biogas recovery suggeste
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