Yazar "Aydin, Metin" için listeleme
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Calculated dependence of vibrational band frequencies of single-walled and double-walled carbon nanotubes on diameter
Aydin, Metin; Akins, Daniel L. (Elsevier, 2010)We have used density functional theory (DFT) at the B3LYP/6-31G level to calculate Raman and IR spectra of zigzag (n,0) single-walled carbon nanotubes (SWNTs) and (n,0) and (2n,0) double-walled carbon nanotubes (DWNTs), ... -
Comparative Study of the Structural and Vibroelectronic Properties of Porphyrin and Its Derivatives
Aydin, Metin (Mdpi, 2014)Density functional theory (DFT and time-dependent-DFT (TD-DFT) were employed to investigate the vibroelectronic structural properties of porphyrin and some derivatives: unsubstituted porphyrin (TPyr), meso-tetraphenylporphyrin ... -
Density functional theory and Raman spectroscopy applied to structure and vibrational mode analysis of 1,1 ',3,3 '-tetraethyl-5,5 ',6,6 '-tetrachloro-benzimidazolocarbocyanine iodide and its aggregate
Aydin, Metin; Dede, Ozge; Akins, Daniel L. (Amer Inst Physics, 2011)We have measured electronic and Raman scattering spectra of 1,1 ',3,3 '-tetraethyl-5,5 ',6,6 '-tetrachloro- benzimidazolocarbocyanine iodide (TTBC) in various environments, and we have calculated the ground state geometric ... -
Density functional theory studies on covalent functionalization of single-walled carbon nanotubes with benzenesulfonic acid
Aydin, Metin (Elsevier Science Bv, 2013)The calculated Raman spectra of the covalently functionalized zigzag single-walled carbon nanotubes, f-(n,0)-SWCNTs (n = 6-10), with benzenesulfonic acid showed that the radial breathing modes (RBMs) frequencies (omega(RBM)) ... -
Dependence of Geometric and Spectroscopic Properties of Double-walled Boron Nitride Nanotubes on Interwall Distance
Aydin, Metin (Sage Publications Ltd, 2014)We have used density functional theory (DFT) and time dependent (TD)-DFT to systematically investigate the dependency of the geometric and vibro-electronic properties of zigzag and armchair-type double-walled boron nitride ... -
DFT and Raman spectroscopy of porphyrin derivatives: Tetraphenylporphine (TPP)
Aydin, Metin (Elsevier Science Bv, 2013)Raman spectrum of the meso tetraphenylporphine (TPP) deposited onto smooth copper surface as thin film were recorded in the region 200-1700 cm(-1). To investigate the effect of meso-phenyl substitution rings on the vibrational ... -
DFT studies on solvent dependence of electronic absorption spectra of free-base and protonated porphyrin
Aydin, Metin; Akins, Daniel L. (Elsevier Science Bv, 2018)The nature of the solvent and composition of the solution in which optical absorption spectra are acquired can substantially affect the structures of analytes as well as spectra and relative intensities of spectral features. ... -
Geometric and Spectroscopic Properties of Carbon Nanotubes and Boron Nitride Nanotubes
Aydin, Metin; Akins, Daniel L. (Intech Europe, 2011)… -
Improved Pt/C electrocatalysts for methanol oxidation prepared by different reducing agents and surfactants and DFT studies on it
Cokangin, Aysu; Aydin, Metin; Gokagac, Gulsun (Springer, 2017)In this work, PtCl4 as precursor; sodium borohydride (Cat I), hydrazinium hydroxide (Cat II), and formaldehyde (Cat III) as reducing agents; and 1-heptanamine (a), N-methyl-1-heptanamine (b), and N, N-dimethyl-1-heptanamine ... -
Surface-enhanced Raman spectroscopy of indanthrone and flavanthrone
Chang, Jingjing; Canamares, Maria Vega; Aydin, Metin; Vetter, Wilfried; Schreiner, Manfred; Xu, Weiqing; Lombardi, John R. (Wiley, 2009)The normal Raman and surface-enhanced Raman scattering (SERS) spectra of flavanthrone and indanthrone were obtained at several excitation wavelengths. The spectral assignments were aided by density functional calculations. ... -
Vibrational and electronic properties of single-walled and double-walled boron nitride nanotubes
Aydin, Metin (Elsevier Science Bv, 2013)We calculated IR, nonresonance Raman spectra and vertical electronic transitions of the zigzag single-walled and double-walled boron nitride nanotubes ((0,n)-SWBNNTs and (0,n)@(0,2n)-DWBNNTs). In the low frequency range ...
