Güncel Gönderiler: Fizik Bölümü
Toplam kayıt 230, listelenen: 121-140
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Electrical conduction mechanism and gas sensing properties of Pd-doped TiO2 films
(ELSEVIER SCIENCE BV, 2011)Undoped and Pd-doped titanium oxide thin films (0.5 wt.%) were prepared by the sol-gel technique (dip-coating) on glass and silicon substrates. The as-deposited thin films were compacted by subjecting them to different ... -
FT-IR, FT-Raman spectra and scaled quantum mechanical study of 4-amino-1-benzylpiperidine
(ELSEVIER, 2011)In this work, we report a combined experimental and theoretical study on molecular structure, vibrational spectra of 4-amino-1-benzyl piperidine (4A1BP). The FT-IR and FT-Raman spectrum have been recorded in the region ... -
Density functional theory studies on 2,5-bis(4-hydroxy-3-methoxybenzylidene)cyclopentanone
(ELSEVIER SCIENCE BV, 2011)The optimized molecular structure, vibrational frequencies, corresponding vibrational assignments of 2,5-bis(4-hydroxy-3-methoxybenzylidene)cyclopentanone (BHMBC) have been investigated by using density functional theory ... -
The change in the electrical transport mechanism from the grain boundary conduction to the nearest-neighbor hopping conduction in SnO2
(SPRINGER, 2011)The electrical conductivity measurements on SnO2 over a wide range of temperatures were performed. The results provided experimental evidence for a transition from the grain boundary (GB) conduction at high temperatures ... -
Effect of formaldehyde gas adsorption on the electrical conductivity of Pd-doped TiO2 thin films
(SPRINGER, 2011)0.5 wt% Pd-doped titanium oxide thin films were obtained by dip-coating on silicon substrates. The films were compacted by annealing in air at 300 and 500 A degrees C. Temperature dependent electrical conductivity measurements ... -
Synthesis and Raman spectroscopic investigation of a new self-assembly monolayer material 4-[N-phenyl-N-(3-methylphenyl)-amino]-benzoic acid for organic light-emitting devices
(WILEY-BLACKWELL, 2011)We have synthesized 4-[N-phenyl-N-(3-methylphenyl)-amino]-benzoic acid (4-[PBA]) and investigated its molecular vibrations by infrared and Raman spectroscopies as well as by calculations based on the density functional ... -
Ni doping effect on electrical conductivity of ZnO nanocrystalline thin films
(SPRINGER, 2011)The electrical conductivity behavior of undoped and Ni-doped ZnO nanocrystalline thin films prepared by spin-coating method was investigated as a function of temperature. The films were found to have polycrystalline ... -
Molecular structure, vibrational, UV and NBO analysis of 4-chloro-7-nitrobenzofurazan by DFT calculations
(PERGAMON-ELSEVIER SCIENCE LTD, 2011)In the present work, we reported a combined experimental and theoretical study on molecular structure, vibrational spectra and NBO analysis of 4-chloro-7-nitrobenzofurazan (NBD-Chloride). The FT-IR (400-4000 cm(-1)) and ... -
Multiphonon hopping of carriers in CuO thin films
(ELSEVIER SCIENCE BV, 2011)We have performed a detailed study of the electrical conduction process in CuO thin films deposited by the sol-gel dip coating technique in a temperature range 280-420 K. The electrical conduction is analyzed within the ... -
The Meyer-Neldel Rule in Layered Silicone-Silver Nanocomposites
(WILEY-BLACKWELL, 2011)X-Ray diffraction and X-ray photoelectron spectroscopy studies, applied on some silicone-silver nanocomposites, revealed the influence of the solvent used in preparation on the morphology of the resulted materials. It has ... -
DFT-based molecular modeling, NBO analysis and vibrational spectroscopic study of 3-(bromoacetyl)coumarin
(PERGAMON-ELSEVIER SCIENCE LTD, 2011)The NIR-FT Raman and FT-IR spectra of 3-(bromoacetyl)coumarin (BAC) molecule have been recorded and analyzed. Density functional theory (DFT) calculation of two BAC conformers has been performed to find the optimized ... -
Electrical conduction properties of In-doped ZnO thin films
(IOP PUBLISHING LTD, 2011)The electrical conduction mechanism of undoped and In-doped ZnO thin films is investigated. The behavior of conductivity is consistent with the variable-range hopping conduction mechanism. From the experimental data, the ... -
FT-Raman, FT-IR spectra and total energy distribution of 3-pentyl-2,6-diphenylpiperidin-4-one: DFT method
(PERGAMON-ELSEVIER SCIENCE LTD, 2011)FT-Raman and FT-IR spectra were recorded for 3-pentyl-2,6-diphenylpiperidin-4-one (POPO) sample in solid state. The equilibrium geometries, harmonic vibrational frequencies, infrared and the Raman scattering intensities ... -
Molecular structure, vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 2-aminobenzimidazole
(PERGAMON-ELSEVIER SCIENCE LTD, 2011)In the present work, we reported a combined experimental and theoretical study on molecular structure, vibrational spectra and HOMO-LUMO analysis of 2-aminobenzimidazole (2-ABD). The FTIR (400-4000 cm(-1)) and FT-Raman ... -
Electrical Properties of Polycrystalline SnO2 Thin Films
(IOP PUBLISHING LTD, 2011)The electrical properties of polycrystalline SnO2 films are investigated by conductivity measurements with respect to the deposition temperature over a temperature range from 60 to 200 K. The electrical conduction is found ... -
Neural network consistent empirical physical formula construction for DFT based nonlinear vibrational spectra intensities of N-(2-methylphenyl) and N-(3-methylphenyl) methanesulfonamides
(ELSEVIER SCIENCE BV, 2011)Vibrational intensities are both experimentally measured and theoretically estimated important physical quantities which are directly related to distributions of the electric charges in a molecule. In this paper, as a novel ... -
Structural, calorimetric and vibrational investigations of 2,3 and 4-hydroxyanilinium perchlorate: A theoretical and experimental study
(ELSEVIER SCIENCE BV, 2012)Complexes of perchloric acid with interesting physical properties are investigated in details. Single crystals of 2-hydroxyanilinium perchlorate (abbreviated as 2HAP-ClO4), 3-hydroxyanilinium perchlorate (abbreviated as ... -
Vibrational (FT-IR and FT-Raman) spectral investigations of 7-aminoflavone with density functional theoretical simulations
(TAYLOR & FRANCIS LTD, 2012)FT-Raman and FT-IR spectra of the 7-aminoflavone have been recorded and analysed. The detailed interpretation of the vibrational spectra has been carried out with the aid of normal coordinate analysis following the scaled ... -
FT-IR, FT-Raman, NMR and UV-vis spectra, vibrational assignments and DFT calculations of 4-butyl benzoic acid
(PERGAMON-ELSEVIER SCIENCE LTD, 2012)The solid phase FTIR and FT-Raman spectra of 4-butyl benzoic acid (4-BBA) have been recorded in the regions 400-4000 and 50-4000 cm(-1), respectively. The spectra were interpreted in terms of fundamentals modes, combination ... -
FT-Raman, FT-IR spectral and DFT studies on (E)-1-4-nitrobenzylidenethiocarbonohydrazide
(PERGAMON-ELSEVIER SCIENCE LTD, 2012)Quantum mechanical calculation of optimized parameters, vibrational wavenumbers and energies of (E)-1-4-nitrobenzylidenethiocarbonohydrazide ((E)-1-4-NBTCH) was carried out using Hatree Fock (HF) with 6-31G(d,p), 6-311G(d,p) ...
