Sharif Digital Repository

Evolution of renewable energies in the era of the modernized world has been strongly tied up to the incessant development of high-performance energy storage systems benefiting from both high energy and power densities. In the present work, binder-free positive electrodes are fabricated via a facile electrochemical deposition route in which copper oxide nanorods (CuO NRs) directly grown onto the copper foam (CF) are decorated with bimetallic cobalt-zinc sulfide nanoarrays (Co-Zn-S NAs). The fabricated Co-Zn-S@CuO-CFs represent promising specific capacity of 317.03 C.g−1 at 1.76 A.g−1, along with superior cyclic stability (113% retention after 4500 cycles). Negative electrodes were further... 

The mechanism and kinetic aspects of the retro-ene reaction of allyl n-butyl sulfide and its deuterated derivative were studied using four different types of density functional theory (DFT) methods with eight different levels of the basis sets. Vibrational frequency analysis confirmed that the stationary points include the transition state (TS) structure with only one imaginary frequency. Mechanistic studies on the retro-ene process rejected the step-wise mechanism and confirmed that the reaction proceeds through a six-centered cyclic transition state. Theoretical calculations show that propene elimination from the reactant can occur through an asynchronous concerted mechanism. A primary... 

The efficiency of Mn luminescence is enhanced in low-thickness ZnS:Mn layers. While various hypotheses can be considered to explain the phenomenon, it seems more reasonable to consider the luminescence enhancement effect a result of the formation of dot-like regions with higher local Mn concentration  

The gas-phase kinetics of diallyl sulfide pyrolysis were studied experimentally and theoretically in a static system over the temperature range 433-463 K and a total pressure of 80 Torr in a glass vessel with the free radical inhibitor cyclohexene. The experimental results show that this reaction is homogeneous, unimolecular and follows a first-order rate law. Theoretical studies at the B3LYP/6-31G* computational level indicate that the elimination reaction proceeds through a six-centered cyclic transition state and the reaction mechanism is concerted and non-synchronous. Copyright © 2003 John Wiley & Sons, Ltd  

We have evaluated the catalytic activity of a molybdenum(VI) oxo-peroxo complex through the oxidation and reduction of sulfur-based compounds. Arylalkyl, diaryl and dialkyl sulfides are selectively oxidized to corresponding sulfoxides, with tert-butyl hydroperoxide (TBHP), in the presence of MoO(O 2)(phox) 2 complex as catalyst. This molybdenum complex was also found to be an efficient catalyst for the deoxygenation of sulfoxides to sulfides with PPh 3 in excellent yields and chemoselectivity  

Cadmium sulfide (CdS) thin film was electrodeposited on indium tin oxide (ITO) by chronoamperometry. The SEM images showed that hexagonal sheets of CdS deposited on the ITO surface. The X-ray diffraction (XRD) analysis confirmed this structure for CdS crystals and the average of crystalline size and the lattice constant parameters are approximately 39.54 and a = 0.4136, c = 0.6696 nm respectively. Photo-electrochemical investigations were performed by cyclic voltammetry (CV), linear sweep voltammetry (LSV), and electrochemical impedance spectroscopy (EIS) techniques. CdS band edges and density of states (DOS) were determined by CV technique. The band gap energy (Ebg) was measured... 

In this study, titanium dioxide (TiO2) nanotube array (TNA) films are fabricated via anodization of titanium (Ti) sheet. After annealing, the films consisted of well ordered, vertically oriented TNAs of 125±6nm diameter, 38±3nm wall thickness, and 2.9±0.3μm in length. Cadmium sulfide (CdS) nanoparticles are deposited on the synthesized TNAs by sequential-chemical bath deposition (S-CBD) method with different immersion cycle (n) to produce heterogeneous TNA/CdS-n (n=10, 20 and 30) nanostructures. UV-visible absorption spectra of the samples revealed that the absorption edge of CdS modified TNAs was shifted to a higher wavelength with respect to the pure TNAs indicating band gap reduction of... 

A heterogeneous tungstate-based catalyst has been prepared for selective oxidation of sulfides to sulfoxides in the presence of 30% H2O2. The catalyst was prepared via immobilization of high amounts of WO4 2− onto the cross-linked poly(ammonium ethyl acrylamide) coated magnetic nanoparticles (MNP). FT-IR, TEM, TGA, VSM, XRD, EDX, and CHN analysis were used for characterization of catalyst. Variety of sulfides successfully converted to the related sulfoxides using 1 mol% of catalyst at room temperature in high yields. The catalyst was easily recovered and reused up to 6 times without loss of activity  

SnO2-CuO is one the most promising systems for detection of detrimental H2S gas. Although previous experimental research has suggested a sulfidation reaction to explain selectivity toward H2S, little is known about the origin of change of electrical response of this system by changing the H2S gas concentration. In this study the relation between sensing response of continuous SnO2-CuO bilayer thin film and H2S gas concentration is computed based on changeability of chemical composition of covellite CuxS. For this purpose, chemical activity of sulfur as a function of atomic fraction in covellite copper sulfide is estimated using Gibbs energies of formation and chemical thermodynamics. By... 

Unidirectional current flow is at the heart of modern electronics, which has been conceived by making p–n junctions or Schottky barriers between different kinds of materials. Within such elements, however, synthesis of thin film lateral heterostructures has so far remained challenging. Here, a one-step simple synthesis of p-type, n-type, and metallic lateral heterostructures using bipolar electrodeposition (BPE) technique is reported. Molybdenum oxides and sulfides with gradient of oxygen and sulfur are deposited at a metallic substrate. A lateral heterostructure is achieved with electrical properties that change from p- to n-type semiconductor and then to metal by moving in the plane of the... 

Three-dimensional reduced graphene oxide (3D-rGO) structures decorated with CuO particles (GCu) are synthesized through a simple and scalable method for detection of hydrogen sulfide (H2S) gas. For characterization and investigation of porous structure various techniques were employed. Decorated 3D structures demonstrated higher sensitivity and selectivity in comparison to pure structure. Optimized structure for sensing was obtained through introducing different amounts of CuO. The GCu heterostructures containing 35 μmol of CuO powder demonstrated reproducible response of about 30% to the concentration of 10 ppm at room temperature, while complete recovery was obtained through heating to 150...