Sharif Digital Repository

Tailoring the electronic properties of graphene is of fundamental interest regarding its application in electronic devices. One of the key strategies is chemical functionalization which modifies the p-electron system and thus can induce band gaps. However, in order to control the degree of functionalization it is crucial to know the exact amount of the chemisorbed species. We show with angle-resolved photoemission spectroscopy (ARPES) the formation of a band gap in graphene and estimate the hydrogen coverage from the scattering rate. Using X-ray photoemission spectroscopy (XPS) we identify the chemical environments in hydrogenated graphene and determine the total hydrogen to carbon... 

The symmetrical and unsymmetrical Schiff base complexes of VO(IV) and Mn(III) derived from 2,2′-diaminobiphenyl and derivatives of salicylaldehyde and 1-hydroxy-2-napnthaldehyde have been synthesized and characterized by elemental analysis, NMR, infrared and electronic absorption spectroscopies, and conductivity measurements. The reaction of the ligands with oxovanadium(IV) was found to be kinetically unfavored, probably due to the small ionic radius of the metal ion, which is not in accordance with the cavity size of the ligands. Copyright © 2005 Taylor & Francis, Inc  

In this work, ferrofluids containing dextran coated magnetite nanoparticles have been synthesized via co-precipitation method. FT-IR results verified presence of dextran molecules on the particles surface. TEM results showed that mean particle size is 7.23 nm, while mean hydrodynamic size determined via PCS technique varies between 39.8 and 125.8 nm depending on the ferrofluid concentration. The maximum hydrodynamic size was obtained in mid concentrations. To the best of our knowledge, effect of concentration on mean hydrodynamic size has not been systematically studied before. VSM results confirmed the superparamagnetic behavior of the synthesized nanoparticles with saturation magnetization... 

We report experimental evidence of Cu surface segregation in Ni/Cu system, during deposition of Ni film onto Cu substrate at room temperature and during heat treatment in vacuum. Auger electron spectroscopy (AES) and X-ray photoelectron spectroscopy (XPS) by Tougaard's analysis results show that surface segregation defeats in competition with increase in Ni thickness and terminates when thickness of Ni increase to more than 4 nm. Surface energy and concentration were calculated using contact angle measurements and the results confirm that segregation reduces the surface energy. Surface segregation during heat treatment at 150–220 °C range as a function of time initially shows linear mass... 

Nanostructured molybdenum oxide was potentiodynamically deposited onto a stainless steel surface from an aqueous bath by cycling the potential between 0 and -0.75 V vs. Ag/AgCl. The deposit consisted of particulates in the range of 30 to 80 nm. Electrochemical studies under galvanostatic charge/discharge and also impedance spectroscopy revealed capacitive behavior in the potential range of -0.3 to -0.55 V vs. Ag/AgCl with the value of 477 F g-1 at 0.1 mA/cm2. An equivalent circuit comprising of three parallel branches consisting of double-layer capacitance, Warburg impedance, and a constant phase element signifying pseudo-capacitance each coupled with their corresponding resistances was... 

Cu2O is an attractive material in terms of semiconducting properties and is considered a leading candidate in all-oxide photovoltaics. Electrochemical analysis of Cu2O, including Mott-Schottky (MS) and impedance spectroscopy (IS), provides a wealth of data on charge carriers, Fermi level and interface properties. MS and IS are usually measured in aqueous solutions. However, Cu2O is easily reduced or oxidized to Cu or CuO in aqueous solutions, the layer peels off after the analysis and there is a small voltage window for the tests. In some cases, an anti-corrosive n-type barrier layer is employed on top of the bare Cu2O electrode to make the measurement possible, which could result in... 

A series of previously reported mononuclear Cu(II) and homodinuclear Cu(II)Cu(II) complexes, as well as, novel mononuclear Cu(II), homodinuclear Cu(II)Cu(II), and heterodinuclear Cu(II)Ni(II) complexes of a phenol-based dinucleating ligand with two different N(amine)2O2 and N(imine)2O2 coordination sites, were synthesized and characterized by elemental analyses, infrared and electronic absorption spectroscopies and conductivity measurements. The electrochemical behavior and catecholase-like activity of the complexes were also studied using cyclic voltammetry and UV-vis spectrophotometry, respectively. Our results show that the dinuclear complexes are more effective catalysts in the oxidation... 

Carbon nanotubes (CNTs) were synthesized via arc discharge in aqueous solutions containing ferrous and ferric irons to reveal the effect of iron-charge mole ratio, R = [Fe2+]/[Fe3+], on the purity of CNTs and the process yield. Raman spectroscopy and transmission electron microscopy were used to analyze the cathodic deposits. It is shown that the nucleation of multi-walled CNTs is catalyzed by ferric irons while their growth is affected by ferrous ions. Well-graphitized CNTs with a high-yield are obtained at R = 1 and total iron concentration of 0.05 M. The effect of iron charge is described based on the two-stage formation mechanism  

A simple method for the formation of inclusion complex of [60]fullerene with two O2N2-donor aza-crown macrocyclic ligands was introduced. The products were characterized using UV-vis and IR spectroscopies as well as HPLC, and ESI mass spectrometry. The ESI mass and elemental analysis data revealed that the ratio of macroring:[60]fullerene were not the same. The binding capability of the macrorings as well as the number of the macroring addends to [60]fullerene were investigated using thermogravimetric analysis (TG) and differential scanning calorimetry (DSC). Considering percentage mass loss in different steps of TG and the enthalpy changes in DSC found for each of these products, the number... 

Carbon nanotubes (CNTs) were synthesized via arc discharge in aqueous solutions containing ferrous and ferric irons to reveal the effect of iron-charge mole ratio, R = [Fe 2+]/[Fe 3+], on the purity of CNTs and the process yield. Raman spectroscopy and transmission electron microscopy were used to analyze the cathodic deposits. It is shown that the nucleation of multi-walled CNTs is catalyzed by ferric irons while their growth is affected by ferrous ions. Well-graphitized CNTs with a high-yield are obtained at R = 1 and total iron concentration of 0.05 M. The effect of iron charge is described based on the two-stage formation mechanism  

In this research, solar cells sensitized with CdS and PbS Nanocrystalline metal sulfides, chemically grown by SILAR, were fabricated and characterized. PV experiments including I-V test in the presence of light and dark,Vocdecay, and Electrochemical impedance spectroscopy were performed on the Cells made through this method in the presence of light and dark and in the time period of 2, 3, 6 and 10 days. From these experiments, the changes in indicators including fill factor, efficiency, open-circuit voltage, short-circuit current, lifetime of electrons in nanostructured anode electrode, recombination resistance and capacitance of the anode electrode-electrolyte interface were observed. Also,... 

Due to high surface to volume ratio and tunable band gap, two dimensional (2D) layered materials such as MoS2, is good candidate for gas sensing applications. This research mainly focuses on variation of Density of States (DOS) of MoS2 monolayes caused by ethanol adsorption. The nanosheets are synthesized by liquid exfoliation, and then using Scanning Tunneling Spectroscopy (STS) and Density Functional Theory (DFT), local electronic characteristic such as DOS and band gap in non-vacuum condition are analyzed. The results show that ethanol adsorption enhances DOS and deform orbitals near the valence and conduction bands that increase transport of carriers on the sheet. © 2018 IOP Publishing... 

Magnetic nanoparticles of CuFe2O4 were applied as catalyst system for one-pot thiophosphate synthesis via the reaction of aryl sulfonyl chlorides with H-phosphonates under conventional heating conditions. This is an extremely efficient and green method for thiophosphate synthesis under base- and solvent-free conditions. Various thiophosphates were obtained in good to excellent yields under the optimized reaction conditions in a short time. The catalyst can be easily recycled from the reaction by an external magnetic field and reused for the next run. In this study, TD-DFT B3LYP/6-31 + G(d) calculations are in good accord with the experimental results. A comparison between experimental and... 

The primary challenge of spectroscopic techniques in selective detection and characterization of tautomeric structures of DNA and RNA bases, and moreover, the accurate interpretation and explanation of the experimental results are the main motives of theoretical studies. Surface-enhanced Raman spectroscopy (SERS) can be a powerful approach to distinguish cytosine in the presence of its tautomers. For this respect, herein, the theoretical simulation of the SERS spectra of cytosine and its three most stable tautomers adsorbed on silver clusters is carried out. The calculations of SERS spectra is based on the excited-state energy gradient approximation as a well-established approach that gives... 

We have investigated the surface-enhanced resonance Raman spectroscopy (SERRS) for 4,4′-diaminotolane absorbed on silver experimentally and theoretically. Experimental observation shows greatly enhanced bg symmetric modes ν26 and ν27, which are silent in normal Raman spectroscopy and SERS on gold. The dependence of the surface-enhanced Raman spectroscopy (SERS) spectra on five excitation lines has also been registered and classified for single bands into three profiles referring to the different contributions of resonant transitions. Theoretical calculations based on the time-dependent path integral formalism by including the Herzberg-Teller correction reproduce the experimental spectra with... 

A 1H-NMR procedure based on an analysis of its data by a multivariate calibration method was conducted for the simultaneous determination of theophylline and caffeine in synthetic and real samples. Partial least squares regression (PLS) was chosen as the calibration method. The methyl signals of theophilline at 3.36 and 3.54 ppm that overlapped with those of caffeine were significant characteristics which were employed in this study for their analyses. The proposed method was successfully applied to recovery studies of theophylline and caffeine from real tablet samples  

The specific adsorption of citrate from perchloric acid electrolytes, has been investigated using in-situ FTIR spectroscopy at Au(1 1 1) electrodes. For comparison IR spectra for formate adsorption are also presented. Clear voltammetric peaks have been observed positive of the pzc and these are shown by FTIR spectroscopy to be associated with the adsorption of citrate. Models for the surface co-ordination of the citrate anion are discussed. © 2002 Elsevier Science B.V. All rights reserved  

Eight new chitin derivatives have been synthesized via SN2 reaction of primary and secondary amines with tosylchitin. The products were characterized using FTIR and 1H NMR spectroscopy. A degree of substitution ∼ 1 was achieved through this process. These materials are soluble in water at room temperature, which enable their further applications in the future. © 2007 WILEY-VCH Verlag GmbH & Co. KGaA  

A novel superabsorbent composite system based on carboxymethyl cellulose (CMC) was prepared by graft copolymerization of acrylic acid (AA) in the presence of kaolin powder using methylenebisacrylamide (MBA) as a crosslinking agent and ammonium persulfate (APS) as an initiator. The effect of reaction variables, such as MBA, AA, and APS concentration and CMC/kaolin ratio on the water absorbency of the composite were studied. Evidence of grafting and kaolin interaction was obtained by comparing the FT-IR spectra of the initial substrates with that of the superabsorbent composite. The results indicated that with increasing amount of kaolin, the swelling capacity was increased and then... 

Graphene-based materials are revealing the leading edge of advanced technology for their exceptional physical and chemical properties. Chemical manipulation on graphene surface to tailor its unique properties and modify atomic structures is being actively pursued. Therefore, the discovery of robust and general protocols to anchor active functionality on graphene basal plane is still of great interest. Multicomponent reactions promise an enormous level of interest due to addressing both diversity and complexity in combinatorial synthesis, in which more than two starting compounds react to form a product derived from entire inputs. In this article, we present the first covalent...