Sharif Digital Repository

S-doped TiO2 layers were grown on titanium substrates by MAO process. SEM results revealed a porous morphology with a pore size of 40-100 nm. Our XRD analysis showed that the anatase relative content reached its maximum value at the voltage of 500 V. The existence of sulfur in the states of S 4+ and S6+ which substituted Ti4+ in the titania crystalline lattice was confirmed by XPS results; meanwhile, no S 2- was detected. That is, a cationic doping was observed. EDS results showed that sulfur concentration in the layers increased with the voltage. The band gap energy was also calculated as 2.29 eV employing a UV-Vis spectrophotometer  

Pore network modeling of porous media has this advantage that can consider the pore structure incorporating any desired details, but it has not been studied sufficiently. In addition, most studies are limited to mathematical modeling only which need validation. In the present study, this approach was applied to hydrogen separation from syngas by nanoporous ceramic membrane to predict the membrane permeance theoretically based on its pore structure. Gas transport through nanoporous membrane was modeled with the aim of a 2D network model. A dusty gas model was used for gas transport in the individual pores. Model validation showed that the model predictions are in good agreement with the... 

Surfaces and interfaces behave differently from their bulk counterparts especially when the dimensions approach small scales. The recent studies have shown that the surface/interface free energy (surface stress) plays an important role in the effective mechanical properties of solids with nanosized inhomogeneities. In this work, within a micromechanical framework, the effect of surface stress is taken into account to obtain a macroscopic yield function for nanoporous materials containing cylindrical nanovoids. Gurtin-Murdoch model of surface elasticity is incorporated in the generalized self-consistent method to obtain a closed-form expression for the transverse shear modulus of transversely... 

A novel combination of discontinuous molecular dynamics and the Langevin equation, together with an intermediate-resolution model of proteins, is used to carry out long (several microsecond) simulations in order to study transport of proteins in nanopores. We simulated single-domain proteins with the α-helical native structure. Both attractive and repulsive interaction potentials between the proteins and the pores' walls are considered. The diffusivity D of the proteins is computed not only under the bulk conditions but also as a function of their "length" (the number of the amino-acid groups), temperature T, pore size, and interaction potentials with the walls. Compared with the... 

In this study, a simple route to the formation of DNA-gold complex has been reported, using immobilized DNA as a template. The nanoporous gold films have been prepared by the electrostatic self assembly of gold nanoparticles capped with tryptophan. Tryptophan would improve surface properties of gold nanoparticles for strongly attaching to DNA. Fourier transform infrared spectroscopy confirmed that gold nanoparticles have been capped by tryptophan. Also measured zeta potential shows that there are positive charges on the surface of gold nanoparticles. Investigations by atomic force microscopy substantially confirm that tryptophan-capped gold nanoparticles can be bonded to DNA template... 

In this investigation, sol-gel synthesized nanoporous silica thin films, annealed at different temperatures, with long time superhydrophilic property have been studied. Two kinds of sol-gel silica thin films were fabricated by dip-coating of glass substrates in two different solutions; with low and high water. The transparent coated films were dried at 100 °C and then annealed in a temperature range of 200-500 °C. The average water contact angle of the silica films prepared with low water content and annealed at 300 °C measured about 5° for a long time (6 months) without any UV irradiation. Instead, adding water into the sol resulted in silica films with an average water contact angle... 

In this study, synthesis of conductive metal nanowires by using aligned and immobilised DNA strand on solid substrate is reported. The nanoporous gold film was prepared by electrostatic self assembly of gold nanoparticles capped with tryptophan. Tryptophan would improve surface properties of gold nanoparticles for strongly attaching to DNA. Fourier transform infrared (FTIR) spectroscopy confirmed that gold nanoparticles have been capped by tryptophan. Also measured zeta potential shows that there are positive charges on the surface of gold nanoparticles. Investigations by AFM observati on substantially confirm that tryptophan-capped gold nanoparticles can be bonded to DNA template... 

It is of interest to explore transfer of fluid through nanopores because of widespread applications for such systems. Carbon Nanotubes (CNTs) with their exceptional properties are the best candidates as building blocks for nanostructures. Water transfer in lots of biological systems acts as an important role for keeping the tissue working properly. Peptide nanotube is one of the best biological channels which was proposed recently. While the mechanism of water permeation through channels is very complex, however, investigations such as effect of charge distributions and temperature on water permeation could shed light on the determinants of water and proton conduction rates in biol ogical... 

The preparation and electrochemical performance of the carbon nanotube-paste electrode modified with salophen complexes of cobalt(III) perchlorate, with various substituents on the salophen ligand, as well as their electrocatalytic activity toward the oxidation of N-acetylcysteine (NAC) is investigated. Several Schiff base complexes containing various nucleophilic and electrophilic functional groups were prepared, and their electrochemical characteristics for the electro-oxidation of NAC were evaluated using cyclic and differential pulse voltammetry (CV and DPV). The results revealed, the modified electrodes show an efficient and selective electrocatalytic activity toward the anodic... 

Carbon nanotubes are widely used in the design of nanosensors and actuators. Any defect in the manufactured nanotube plays an important role in the natural frequencies of these structures. In this paper, the effect of vacancy defects on the vibration of carbon nanotubes is investigated by using an atomistic modeling technique, called the molecular structural mechanics method. Vibration analysis is performed for armchair and zigzag nanotubes with cantilever boundary condition. The shift of the principal frequency of the nanotube with vacancy defect at different locations on the length is plotted. The results indicate that the frequency of the defective nanotube can be larger or smaller or... 

Finite element (FE) method is used to model radial deformation of single-walled carbon nanotube (SWCNT) under hydrostatic pressure. Elastic deformation of the nanostructure is simulated via elastic beams. Properties of the beam element are calculated by considering the stiffness of the covalent bonds between the carbon atoms in the hexagonal lattice. By applying the beam elements in a three-dimensional space, elastic properties of the SWCNT in transverse direction are obtained. In this regard, influences of diameter and tube wall thickness on the radial and circumferential elastic moduli of zigzag and armchair SWCNTs are considered. It is observed that there is a good agreement between the... 

Discontinuous molecular dynamics simulations, together with the protein intermediate resolution model, an intermediate-resolution model of proteins, are used to carry out several microsecond-long simulations and study folding transition and stability of α -de novo-designed proteins in slit nanopores. Both attractive and repulsive interaction potentials between the proteins and the pore walls are considered. Near the folding temperature Tf and in the presence of the attractive potential, the proteins undergo a repeating sequence of folding/partially folding/unfolding transitions, with Tf decreasing with decreasing pore sizes. The unfolded states may even be completely adsorbed on the pore's... 

Anodic aluminium oxide films were fabricated by well known two-step anodizing process in oxalic acid electrolyte. The ordering characteristics (ordered pore domains, average pore diameter size and through-pore arrangement) of anodic aluminium oxide films, obtained in different growth sequences, were identified by microscopic analysis such as ex situ contact-mode atomic force microcopy and scanning electron microscopy. Flattened areas in which some pits are seen mostly cover the electropolished surface of aluminium. Single anodizing of aluminium produces a broad distribution of nanopore size, whereas induces a highly ordered hemispherical pattern, which plays the ordered nucleation sites for...