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.
A description of the theoretical of the reorganization energies have been described according to the outer-sphere Marcus model .It is a given expression according this model unable to evaluate the reorganization energy for electron transfer at liquid /liquid interface. The spherical model approach have been used to evaluate the radius of donor and acceptor liquid alternatively .Theoretical results of the reorganization free energy for electron transfer at liquid/liquid interface system was carried out . Matlap program is then used to calculate ð¸0 for electron transfer reaction between water donor stated and many liquid acceptor state. This shows a good agreement with the experiment. The results
... Show MoreThe interest in green energy in recent years is very noticeable, as this energy is a very important alternative that can replace fuel in many applications, most notably electric power generation, so work must be done to develop a form of this energy such as wind energy by working on the development of turbines. The DMST method provided by Qblade software is an integrated tool for making a simulation of a vertical axis wind turbine (VAWT). The simulation was carried out on vertical axis wind turbines, designing turbine blades according to symmetrical NACA0018, and calculating some parameters such as power, torque and power coefficient. It is found that this type of turbine can be improved by treating the blade edges that cont
... Show MoreIn this study, the contribution of the bond C–I has been derived and incorporated in empirical formula to calculate zero-point energies (ZPE) of Iodo compounds. The calculated ZPE for 38 molecules containing this bond correlate well with experimental values. The comparison of these results with semiempirical (AM1) ZPE appears very satisfactory
The local asphalt concrete fracture properties represented by the fracture energy, J-integral, and stress intensity factor are calculated from the results of the three point bending beam test made for pre notches beams specimens with deformation rate of 1.27 mm/min. The results revealed that the stress intensity factor has increased by more than 40% when decreasing the testing temperature 10˚C and increasing the notch depth from 5 to 30mm. The change of asphalt type and content have a limited effect of less than 6%.
In this study, the effect of increasing pump pulse energy and delay time on the energy conversion efficiency of the Potassium Titanyl Phosphate (KTP) crystal at room temperature was investigated. It was found that the higher the pump pulse the greater the efficiency at a certain value of the delay time. Moreover, at the delay time 3.524ns, we found that the efficiency of the conversion of energy increases from 0.0112 to 0.0159. We also observed that the lower delay time between the pump and the probe pulses leads to increase the rate of energy conversion efficiency of the KTP crystal, where the reaches up to 3, which is higher than the value recorded in the absence of a pump pulse. The highest value of the
... Show MoreThe adsorption behavior of congo red dye from its aqueous solutions was investigated onto natural and modified bauxite clays. Both bauxite and modified bauxite are primarily characterized by using, FTIR, SEM, AFM, and XRD. Several variables are studied as a function of adsorption including contact time, adsorbent weight, pH, ionic strength, particle size and temperature under batch adsorption technique. The absorbance of the solution before and after adsorption was measured spectrophotometrically. The equilibrium data fit with Langmuir model of adsorption and the linear regression coefficient R2 is found to be 0.9832 and 0.9630 for natural and modified bauxite respectively at 37.5°C which elucidate the best fitting isotherm model. The gene
... Show MoreThis study included the collecting of 390 gland toxicity of the Red Wasp Vespa orientalis and 418 gland toxicity of yellow wasp Polistes olivaceaus from different areas of Baghdad city. It was classified depending on taxonomic keys in order to diagnose and identify the general characteristics of each species, and then extract gland toxicity to get poison. The poison was purified by gel filtration throw Sephacryl S-200 obtain three peaks of proteins. The activity of lysis and clotting was estimated for peaks separate P1, P2 and P3 for wasp red toxin, the lysis activity of separate P1 was 98% of the poison origin activity and the clotting time was 47.3 minutes, while when estimating the activity of lysis and clotting for peaks separate P1,
... Show MoreThere is a correlation between the occurrence of anxiety and the production of inflammatory mediators, and red ginger rhizome is a well-known herbal product with a high content of phenolic and flavonoid compounds that can be used as anti-inflammatories and antioxidants. The aim of study to evaluate the effect of red ginger as antianxiety in mice (Mus musculus) BALB/c strain by measuring levels of TNF-α, IL-6 and IL-10. Anxiety model mice were carried out by giving treatment with the Forced Swimming Test (FST) for 7 days then assessed by carrying out the Elevated Plus Maze for Mice (EPM) test for one day. After the treatment, the anxiety mice model was made, followed by administration of red ginger ethanol extract therapy for 14 days.
... Show MoreOn 2-9th April 2001 the Energetic and Relativistic Nuclei and Electron (ERNE) instrument on the Solar and Heliospheric Observatory (SOHO) observed three gradual solar energetic particle (SEP) events separated by 9 hour and 7days respectively, in association with three effective solar flares and coronal mass ejections (CMEs).
In this paper, a study of MESEP events was considered. As the definition of this phenomenon suggested there might be many sources for each MESEP event. This event has been examined in order to view the different sources that might relate to suspected accelerator of the SEPs. A careful analysis for the spectra and associated emission with such eruptions was made. Soft X-ray emission was observed by the Geostationar
On 2-9th April 2001 the Energetic and Relativistic Nuclei and Electron (ERNE)
instrument on the Solar and Heliospheric Observatory (SOHO) observed three
gradual solar energetic particle (SEP) events separated by 9 hour and 7days
respectively, in association with three effective solar flares and coronal mass
ejections (CMEs).
In this paper, a study of MESEP events was considered. As the definition of this
phenomenon suggested there might be many sources for each MESEP event. This
event has been examined in order to view the different sources that might relate to
suspected accelerator of the SEPs. A careful analysis for the spectra and associated
emission with such eruptions was made. Soft X-ray emission was obse