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Article Citation - WoS: 10Citation - Scopus: 10Temperature effects on the optoelectronic properties of AgIn5S8 thin films(Elsevier Science Sa, 2011) Qasrawi, A. F.Polycrystalline AgIn5S8 thin films are obtained by the thermal evaporation of AgIn5S8 crystals onto ultrasonically cleaned glass substrates under a pressure of similar to 1.3 x 10(-3) Pa. The temperature dependence of the optical band gap and photoconductivity of these films was studied in the temperature regions of 300-450 K and 40-300 K, respectively. The heat treatment effect at annealing temperatures of 350, 450 and 550 K on the temperature dependent photoconductivity is also investigated. The absorption coefficient, which was studied in the incidence photon energy range of 1.65-2.55 eV, increased with increasing temperature. Consistently, the absorption edge shifts to lower energy values as temperature increases. The fundamental absorption edge which corresponds to a direct allowed transition energy band gap of 1.78 eV exhibited a temperature coefficient of -3.56 x 10(-4) eV/K. The 0 K energy band gap is estimated as 1.89 eV. AgIn5S8 films are observed to be photoconductive. The highest and most stable temperature invariant photocurrent was obtained at an annealing temperature of 550 K. The photoconductivity kinetics was attributed to the structural modifications caused by annealing and due to the trapping-recombination centers' exchange. (C) 2010 Elsevier B.V. All rights reserved.Article Citation - WoS: 2Citation - Scopus: 2Properties of Tl4se3< Single Crystals and Characterization of Ag/Tl4< Schottky Barrier Diodes(Elsevier Science Bv, 2010) Qasrawi, A. F.; Gasanly, N. M.The main physical properties of Tl4Se3S single crystals were investigated for the first time. Particularly, the crystal data, Debye temperature, dark electrical resistivity and Hall effect in addition to the temperature dependent current-voltage characteristics and photosensitivity of the Ag/Tl4Se3S Schottky barrier diode were studied. The X-ray diffraction patterns have revealed that the crystal exhibited a single phase of tetragonal structure belonging to the D-4h(18) - 14mcm space group. A Debye temperature of 100 K was calculated using the results of the X-ray diffraction analysis. The dark electrical resistivity and Hall-effect measurements indicated that the samples exhibits p-type conduction with an electrical resistivity, carrier concentration and Hall mobility of 6.20 x 10(3) Omega cm, 1.16 x 10(12) cm(-3) and 873 cm(2) V-1 s(-1), respectively. The crystals were observed to have Schottky diode properties. The Ag/Tl4Se3S Schottky barrier device bias voltage was observed to depend on the crystal direction and on temperature. It was found that the calculated energy barrier height decreased and the diode ideality factor increased with temperature decreasing. The photosensitivity-light intensity dependence of this device was found to be linear reflecting the ability of using it in optoelectronics. (C) 2009 Elsevier B.V. All rights reserved.Article Citation - WoS: 4Citation - Scopus: 5Gd and Tb Doping Effects on the Physical Properties of Nd2sn2<(Elsevier Sci Ltd, 2018) Saleh, Adli A.; Hamamera, Hanan Z.; Khanfar, Hazem K.; Qasrawi, A. F.; Yumusak, G.In the current study, we report the light doping effects of the gadolinium and the terbium on the structural, morphological, optical and electrical properties of Nd2Sn2O7 pyrochlore ceramics. The pyrochlore which is prepared by the conventional solid state reaction technique is analyzed by means of scanning electron microscopy, energy dispersive X-ray analyzer, X-ray diffraction, ultraviolet- visible light spectrophotometry and temperature dependent current -voltage characteristics techniques. It is found that even though the doping content of both metals is low (2%), they significantly alter the physical properties of the pyrochlore. Particularly, it is observed that, these two doping agents increases the lattice parameter and strain and reduces the crystallite size and dislocation density. Optically, the effect of Gd doping on shrinking the energy band gap value of the Nd(2)Sn(2)O(7 )pyrochlore ceramic is more pronounced than that of Tb. On the other hand, the electrical investigations have shown that while the Gd make the pyrochlore exhibit p-type conductivity through forming shallow acceptor levels, the Tb forces n-type conductivity by forming deep donor levels below the conduction band edge. Such acceptor and donor impurity levels increases the electrical conductivity of the Nd(2)Sn(2)O(7 )pyrochlore ceramics by 390 and 58 times, respectively.Article Citation - WoS: 10Citation - Scopus: 9A Computational Study on 4,7-Di(furan Monomer and Its Oligomers(Springer, 2014) Kayi, Hakan; Kayı, Hakan; Kayı, Hakan; Chemical Engineering; Chemical EngineeringThe energy gap, Eg, between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) energy levels that determines the electronic and optical properties of 4,7-di(furan-2yl)benzo[c][1,2,5]thiadiazole (FSF) polymer is calculated by performing quantum chemical calculations. First, we theoretically investigated the most stable conformers of FSF monomer and its corresponding oligomers at the B3LYP/6-31G(d) and B3LYP/LANL2DZ levels of theory. We reveal the theoretical molecular structure of this very recently synthesized novel monomer and its oligomers for the first time in the literature. Our results from the B3LYP/6-31G(d) calculations indicated that FSF polymer has a low HOMO-LUMO gap of 1.55 eV to be in good agreement with the experiments. Experimental design and synthesis of novel conjugated polymers require time-consuming and expensive procedures. The findings from this study are promising for the use of computational methods in the design of the novel conjugated polymers, and help to narrow the materials to be used in design and synthesis of conjugated polymers with desired properties.Article Citation - WoS: 9Citation - Scopus: 10A Theoretical Investigation of 4,7-Di(furan Donor-Acceptor Type Conjugated Polymer(Elsevier, 2015) Kayi, Hakan; Elkamel, AliQuantum chemical calculations are performed using density functional theory (DFT) to investigate the HOMO-LUMO energy gap of the 4,7-di(furan-2-yl)benzo[c][1,2,5]selenadiazole-based (FSeF) donor-acceptor type conjugated polymer which ascertains the optoelectronic properties and plays a crucial role, especially in polymeric solar cell applications. In this paper, the most stable conformers of the FSeF monomer and its corresponding oligomers are investigated at the B3LYP/Def2TZV and B3LYP/LANL2DZ levels of theory, and their molecular structures are revealed. The band gap of the polymer is determined by linear-fitting and extrapolation of the DFT data. This gap is found to be 1.44 eV and 1.45 eV by the B3LYP/Def2TZV, and B3LYP/LANL2DZ with PCM calculations, respectively. Our theoretical findings related to the band gap of the FSeF polymer (PFSeF) are in good agreement with other experimental studies in the literature and, hence, the theoretical methods used in this study are promising for the design of similar donor-acceptor type novel conjugated polymers. (C) 2014 Elsevier B.V. All rights reserved.
