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.
Recently, in 2014 [1] the authors introduced a general family of summation integral Baskakov-type operators ( ) . In this paper, we investigate approximation properties of partial sums for this general family.
Gallstone disease is one of the most common complications among diabetic patients especially type 2 DM. Till now, there is no specific and certain factor that explain the incidence of gallstones among type 2 diabetic patients and many risk factors are taken collectively to estimate its intensity and severity compared to non diabetic counter parts. This clinical study was designed to evaluate and report the incidence and severity of gallstones among type 2 diabetics and non diabetics regarding certain factors. 20 diabetic females and 20 diabetic males were collected as patients′ group and have had gallstones while 20 females and 20 males who have had gallstones without diabetes mellitus type 2 were collected as controls′ group
... Show MoreThe study of Mars's ionosphere was made by investigating the measurements of the electron density (Ne) depending of the variation of the solar activities through different local time, different seasons, and different altitudes. The datasets has been taken from MARSIS on board the Mars Express spacecraft, the investigation for the solar indices and the electron density (Ne) have been made for two period of time depending on the strength of the geomagnetic storms, the first one was taken when the geomagnetic storms was low as in years (1998 & 2005), the data was chosen for three seasons of these years, Winter (December), Summer (June) and Spring (April). The second period was taken for the years (2001 & 2002) when the geomagnetic s
... Show MoreThe study of Mars's ionosphere was made by investigating the measurements of the electron density (Ne) depending of the variation of the solar activities through different local time, different seasons, and different altitudes. The datasets has been taken from MARSIS on board the Mars Express spacecraft, the investigation for the solar indices and the electron density (Ne) have been made for two period of time depending on the strength of the geomagnetic storms, the first one was taken when the geomagnetic storms was low as in years (1998 & 2005), the data was chosen for three seasons of these years, Winter (December), Summer (June) and Spring (April). The second period was taken for the years (2001 & 2002) when the geomagnetic s
... Show MoreThe paper is devoted to solve nth order linear delay integro-differential equations of convolution type (DIDE's-CT) using collocation method with the aid of B-spline functions. A new algorithm with the aid of Matlab language is derived to treat numerically three types (retarded, neutral and mixed) of nth order linear DIDE's-CT using B-spline functions and Weddle rule for calculating the required integrals for these equations. Comparison between approximated and exact results has been given in test examples with suitable graphing for every example for solving three types of linear DIDE's-CT of different orders for conciliated the accuracy of the results of the proposed method.
The derivation of 5th order diagonal implicit type Runge Kutta methods (DITRKM5) for solving 3rd special order ordinary differential equations (ODEs) is introduced in the present study. The DITRKM5 techniques are the name of the approach. This approach has three equivalent non-zero diagonal elements. To investigate the current study, a variety of tests for five various initial value problems (IVPs) with different step sizes h were implemented. Then, a comparison was made with the methods indicated in the other literature of the implicit RK techniques. The numerical techniques are elucidated as the qualification regarding the efficiency and number of function evaluations compared with another literature of the implic
... Show MoreSpectral and linear optical properties for a mixture of Rhodamine B (RB) and Fluorescein Sodium (Na Fl) organic laser dyes were determined at different concentrations 10-3, 10-4 M in ethanol solvent at room temperature. The intensity of absorption range is towards longer wavelengths (red shift). The quantum efficiency diminished while the radiative and fluorescence life time increased when increment concentration, organic laser dyes have a spectrum within the range 540-500 nm. Results demonstrate that a mixture of laser dyes are effective optical materials when contrasted with individual laser dyes. It can be utilized as resonator in cavity lasers.
Thin films of the blended solution of (NiPc/C60) on glass substrates were prepared by spin-coated method for three different ratios (100/1, 100/10 and 100/100). The effects of annealing temperature and C60 concentration on the optical properties of the samples were studied using the UV-Vis absorption spectroscopy and FTIR spectra. The optical absorption spectrum consists of two main bands, Q and B band, with maxima at about (602-632) nm and (700-730) nm for Q1 and Q2 respectively, and (340-375) nm for B band. The optical energy gap were determined from optical absorption spectra, The variation of optical energy gap with annealing temperature was nonsystematic and this may be due to the improvement in crystal structure for thin films. Whi
... Show MoreRecently, research has focused on non-thermal plasma (NTP) technologies as a way to remove volatile organic compounds from the air stream, due to its distinctive qualities, which include a quick reaction at room temperature. In this work, the properties of the plasma generated by the dielectric barrier discharge (DBD) system and by a glass insulator were studied. Plasma was generated at different voltages (3, 4, 6, 7, 8 kV ) with a fixed distance between the electrodes of 5 mm, and a constant argon gas flow rate of (2.5) I/min. DBD plasma emission spectra were recorded for each voltage. The Boltzmann plot method was used to calculate the electron temperature in the plasma ( ), and the Stark expansion method was used to calculate the elec
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