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.
Experimental measurements of viscosity and thermal conductivity of single layer of graphene . based DI-water nanofluid are performed as a function of concentrations (0.1-1wt%) and temperatures between (5 to 35ºC). The result reveals that the thermal conductivity of GNPs nanofluids was increased with increasing the nanoparticle weight fraction concentration and temperature, while the maximum enhancement was about 22% for concentration of 1 wt.% at
35ºC. These experimental results were compared with some theoretical models and a good agreement between Nan’s model and the experimental results was observed. The viscosity of the graphene nanofluid displays Newtonian and Non-Newtonian behaviors with respect to nanoparticles concen
Baghdad city has been faced numerous issues related to freshwater environment deteriorations due to many reasons, mainly was the discharge of wastewater without adequate treatment. Al-Rustamiya Wastewater Treatment Plant (WWTP) have been constructed among many plants in Baghdad city to reduce the amount of wastewater discharged into natural environment and its subsequent adverse effects. This study was conducted to evaluate the performance of the plant which consist of a conventional activated sludge (CAS) and sequencing batch reactors (SBR) systems as secondary treatment units and its ability to meet Iraqi specifications. A reliability level determination and analysis also were conducted to find the plant's stability an
... Show MoreFour new copolymers were synthesized from reaction of bis acid monomer 3-((4-carboxyphenyl) diazenyl)-5-chloro-2-hydroxybenzoic acid with five diacidhydrazide in presence of poly phosphoric acid. The resulted monomers and copolymers have been characterized by FT-IR, 1H-NMR, 13C-NMR spectroscopy as well as EIMs technique. The number averages of molecular weights of the copolymers are between 4822 and 9144, and their polydispersity indexes are between 1.02 and 2.15. All the copolymers show good thermal stability with the temperatures higher than 305.86 C when losing 10% weight under nitrogen. The cyclic voltammetry (CV) measurement and the electrochemical band gaps (Eg) of these copolymers are found below 2.00 ev.
Big data usually running in large-scale and centralized key management systems. However, the centralized key management systems are increasing the problems such as single point of failure, exchanging a secret key over insecure channels, third-party query, and key escrow problem. To avoid these problems, we propose an improved certificate-based encryption scheme that ensures data confidentiality by combining symmetric and asymmetric cryptography schemes. The combination can be implemented by using the Advanced Encryption Standard (AES) and Elliptic Curve Diffie-Hellman (ECDH). The proposed scheme is an enhanced version of the Certificate-Based Encryption (CBE) scheme and preserves all its advantages. However
... Show MoreRegarding the security of computer systems, the intrusion detection systems (IDSs) are essential components for the detection of attacks at the early stage. They monitor and analyze network traffics, looking for abnormal behaviors or attack signatures to detect intrusions in real time. A major drawback of the IDS is their inability to provide adequate sensitivity and accuracy, coupled with their failure in processing enormous data. The issue of classification time is greatly reduced with the IDS through feature selection. In this paper, a new feature selection algorithm based on Firefly Algorithm (FA) is proposed. In addition, the naïve bayesian classifier is used to discriminate attack behaviour from normal behaviour in the network tra
... Show MoreBreast cancer is one of the most common malignant diseases among women;
Mammography is at present one of the available method for early detection of
abnormalities which is related to breast cancer. There are different lesions that are
breast cancer characteristic such as masses and calcifications which can be detected
trough this technique. This paper proposes a computer aided diagnostic system for
the extraction of features like masses and calcifications lesions in mammograms for
early detection of breast cancer. The proposed technique is based on a two-step
procedure: (a) unsupervised segmentation method includes two stages performed
using the minimum distance (MD) criterion, (b) feature extraction based on Gray
The advancement of cement alternatives in the construction materials industry is fundamental to sustainable development. Geopolymer is the optimal substitute for ordinary Portland cement, which produces 80% less CO2 emissions than ordinary Portland cement. Metakaolin was used as one of the raw materials in the geopolymerization process. This research examines the influence of three different percentages of sulfate (0.00038, 1.532, and 16.24) % in sand per molarity of NaOH on the compressive strength of metakaolin-based geopolymer mortar (MK-GPM). Samples were prepared with two different molarities (8M and 12M) and cured at room temperature. The best compressive strength value (56.98MPa) was recorded with 12M w
... Show MoreThe digital image with the wavelet tools is increasing nowadays with MATLAB library, by using this method based on invariant moments which are a set of seven moments can be derived from the second and third moments , which can be calculated after converting the image from colored map to gray scale , rescale the image to (512 * 512 ) pixel , dividing the image in to four equal pieces (256 * 256 ) for each piece , then for gray scale image ( 512 * 512 ) and the four pieces (256 * 256 ) calculate wavelet with moment and invariant moment, then store the result with the author ,owner for this image to build data base for the original image to decide the authority of these images by u
... Show MoreSynthetic routes to a series of tin compounds incorporating nitrogen-based
chelating ligands are described. The β-diketiminato tin chloride precursor was
utilized to isolate the first tin-phosphorus tin compound using this ligand,
[(HC{C(Me)NAr}2)SnPPh2]. A diamide ligand was employed to investigate tin (II)
and (IV) compounds. Two tin (II) and (IV) compounds, [(Me2Si{ArN}2)SnPh2] and
[Li(OEt)2](Me2Si{ArN}2)SnPh2], were formed via reaction of the lithiated
preligand, [Me2Si{ArNLi}2]+Sn(IV). Finally a novel Sn(II) N-heterocyclic
stannylene compound was formed by reaction of the preligand with SnCl4.
The diamide ligand was found to be suitable for both Sn(IV) and Sn(II)
compounds. Reaction to obtain the tin dich