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Öğe The intramolecular hydrogen bond analysis in biologically active 5-fluoro-1h-indole-2,3-dione-3-thiosemicarbazones derivatives by experimental and theoretical methods(Int Union Crystallography, 2015) Karayel, Arzu; Kayanak, F. Betül; Karalı, Nilgün Lütfiye; Özbey, Süheyla[Abstract Not Available]Öğe NMR, X-RAY and DFT studies on antioxidant triazolyl-benzimidazole derivatives(Int Union Crystallography, 2011) Karayel, Arzu; Özbey, Süheyla; Ayhan Kılcıgil, Gülgün; Kuş, Canan[Abstract Not Available]Öğe Molecular Structure Analyses of some crystals containing aromatic-structured acids by x-ray diffraction method and quantum mechanical calculations(2015) Aslantaş, Mehmet; Karayel, Arzu; Arslan, Akif; Çelik, ÖmerAromatic-structured acids and their complexes are having with biological importance, in particular molecules which are used in the food industry due to enzymatic activity and antimicrobial properties. In this study, crystal structure analyses were performed by X-ray diffraction method, and biological analysis of synthesized aromatic-structured complex molecules determined. In order to support and compare of the experimental results for these complexes, the quantum mechanical Hartree-Fock (HF) and Density Functional Theory (DFT) methods were investigated by theoretical calculations. Many information at the atomic level for the complex molecules such as, conformations in the unit cell, energies, bond lengths and angles, molecular packing, intra- and inter-molecular hydrogen bonding interactions were presented.Öğe Investigation of carrier transport mechanisms in the Cu-Zn-Se based hetero-structure grown by sputtering technique(Canadian Science Publishing, 2018) Güllü, Hasan Hüseyin; Terlemezoğlu, Makbule; Bayraklı Sürücü, Özge; Yıldız, Dilber Esra; Parlak, MehmetIn this paper, we present results of the electrical characterization of n-Si/p-Cu-Zn-Se hetero-structure. Sputtered film was found in Se-rich behavior with tetragonal polycrystalline nature along with (112) preferred orientation. The band gap energy for direct optical transitions was obtained as 2.65 eV. The results of the conductivity measurements indicated p-type behavior and carrier transport mechanism was modelled according to thermionic emission theory. Detailed electrical characterization of this structure was carried out with the help of temperature-dependent current-voltage measurements in the temperature range of 220-360 K, room temperature, and frequency-dependent capacitance-voltage and conductance-voltage measurements. The anomaly in current-voltage characteristics was related to barrier height inhomogeneity at the interface and modified by the assumption of Gaussian distribution of barrier height, in which mean barrier height and standard deviation at zero bias were found as 2.11 and 0.24 eV, respectively. Moreover, Richardson constant value was determined as 141.95 Acm-2K-2 by means of modified Richardson plot. © 2018 Published by NRC Research Press.
