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Muhammad Usman Khan Muhammad Yasir Mehboob Riaz Hussain Zainab Afzal Muhammad Khalid Muhammad Adnan 《International journal of quantum chemistry》2020,120(22):e26377
The development of organic electron acceptor materials is one of the key factors for realizing high-performance organic solar cells (OSCs). Nonfullerene electron acceptors, compared to traditional fullerene acceptor materials, have gained much impetus owing to their better optoelectronic tunabilities and lower cost, as well as higher stability. Therefore, 5 three-dimensional (3D) cross-shaped acceptor materials having a spirobifullerene core flanked with 2,1,3-benzothiadiazole are designed from a recently synthesized highly efficient acceptor molecule SF(BR) 4 and are investigated in detail with regard to their use as acceptor molecules in OSCs. The density functional theory (DFT) and time-dependent DFT (TDDFT) calculations have been performed for the estimation of frontier molecular orbital (FMO) analysis, density of states analysis, reorganization energies of electron and hole, dipole moment, open-circuit voltage, photo-physical characteristics, and transition density matrix analysis. In addition, the structure-property relationship is studied, and the influence of end-capped acceptor modifications on photovoltaic, photo-physical, and electronic properties of newly selected molecules ( H1-H5 ) is calculated and compared with reference ( R ) acceptor molecule SF(BR) 4 . The structural tailoring at terminals was found to effectively tune the FMO band gap, energy levels, absorption spectra, open-circuit voltage, reorganization energy, and binding energy value in selected molecules H1 to H5 . The 3D cross-shaped molecules H1 to H5 suppress the intermolecular aggregation in PTB7-Th blend, which leads to high efficiency of acceptor material H1 to H5 in OSCs. Consequently, better optoelectronic properties are achieved from designed molecules H1 to H5 . It is proposed that the conceptualized molecules are superior than highly efficient spirobifullerene core-based SF(BR) 4 acceptor molecules and, thus, are recommended to experiments for future developments of highly efficient solar cells. 相似文献
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Khalid KOUFANY 《数学学报(英文版)》2006,22(5):1467-1472
Let Ω be a symmetric cone. In this note, we introduce Hilbert's projective metric on Ω in terms of Jordan algebras and we apply it to prove that, given a linear invertible transformation g such that g(Ω) = Ω and a real number p, |p| 〉 1, there exists a unique element x ∈ Ω satisfying g(x) = x^p. 相似文献
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A new type of optoelectronic cellular neural network has been developed by providing the capability of coefficients adjusment of cellular neural network (CNN) using Widrow based perceptron learning algorithm. The new supervised cellular neural network is called Widrow-CNN. Despite the unsupervised CNN, the proposed learning algorithm allows to use the Widrow-CNN for various image processing applications easily. Also, the capability of CNN for image processing and feature extraction has been improved using basic joint transform correlation architecture. This hardware application presents high speed processing capability compared to digital applications. The optoelectronic Widrow-CNN has been tested for classic CNN feature extraction problems. It yields the best results even in case of hard feature extraction problems such as diagonal line detection and vertical line determination. 相似文献
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Khalid A. Aleissa El-Said I. Shabana Fahad I.S. Al-Masoud 《Journal of Radioanalytical and Nuclear Chemistry》2004,260(3):683-687
The capacity of algae to concentrate uranium under natural environmental conditions is measured by a-spectrometry. Spirogyra, a filamentous green fresh-water alga, has concentrated uranium from a surface concrete ponds with elevated uranium levels
(140-1140 ppb). The concentration factors (CFs) ranged from 8.9-67 with an average value of 22.Cladophora spp, a filamentous green marine alga has concentrated uranium from the marine water with a concentration factor ranged from 220–280.
The average concentration factor was 250. The factors affecting the sorption process are discussed in detail.
This revised version was published online in July 2006 with corrections to the Cover Date. 相似文献
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Finite chains of a two-state random Potts spin model with periodic boundary conditions are studied within Glauber dynamics. The spin exchange is assumed random with frustration between ferro and antiferromagnetic values (±J). Time-dependent fluctuations are induced by periodic temperature oscillations. Master type differential equations for spin correlation functions are solved within linear response theory. The spectrum of relaxation times are calculated at different temperatures. The ±J Potts glass chains undergo a zero temperature phase transition. The barriers against inversion of the spin chain take only two values; 0 and 2|J|. The temperature behaviour of specific heat is characterized by rounded peaks. The frequency dependence displays two plateaus for the real part of specific heat and two corresponding peaks for the imaginary part. The dynamic specific heat is not affected by the longest relaxing mode like susceptibility. The time separation of the modes is demonstrated by the Cole-Cole plots. 相似文献
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We have carried out some photon interaction measurements using 59.54 keV γ-rays from a 241Am source. These include γ attenuation studies as well as photoelectric absorption studies in various samples. The attenuation
studies have been made using leaf and wood samples, samples like sand, sugar etc., which contain particles of varying sizes
as well as pellets and aqueous solutions of rare earth compounds. In the case of the leaf and wood samples, we have used the
γ-ray attenuation technique for the determination of the water content in fresh and dried samples. The variation of the attenuation
coefficient with particle size has been investigated for sand and sugar samples. The attenuation studies as well as the photoelectric
studies in the case of rare earth elements have been carried out on samples containing such elements whose K-absorption edge
energies lie below and close to the γ-energy used. Suitable compounds of the rare earth elements have been chosen as mixture
absorbers in these investigations. A narrow beam good geometry set-up was used for the attenuation measurements. A well-shielded
scattering geometry was used for the photoelectric measurements. The mixture rule was invoked to extract the values of the
mass attenuation coefficients for the elements from those of the corresponding compounds. The results are consistent with
theoretical values derived from the XCOM package. 相似文献
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