Sharif Digital Repository

The pseudocapacitance and morphology of electrodeposited transition metal oxides depend significantly on the morphology of the substrate. The nanoporous nickel substrate, derived from selective electro-dissolution of antimony from an electro-deposited Ni-Sb alloy, effectively promotes the electrochemical utilization of manganese oxide deposited on this structure. The large electronic and ionic conduction within the nanostructured deposit improve the energy storage performance of Mn oxide as compared to that on flat Ni substrate. In this work, the MnO2 specific capacitances of around 612 F g-1 were obtained, which was five times higher than Mn oxide deposited on a flat Ni-ribbon. A highly... 

A cavity resonator containing graphene nanopores (GNPs), along with a metallic layer (Ag, as a reflector) and a dielectric layer (SiO2, as a spacer), has been proposed for broadband wide-angle absorption of light. The GNP/SiO2/Ag multilayers showed high significant increase in the absorption efficiency (with respect to the G/SiO2/Ag multilayer) in a broad spectral range (from ultra-violet (UV) and visible range to near-infrared (NIR)), due to the cavity resonance and absorptions induced by the oxygen-containing functional groups formed around the nanopores of graphene. The dependences of the cavity resonance absorption on the quality of the GNP layer, dimension of the cavity and the incident... 

If an ideal membrane for gas separation is to be obtained, the following three characteristics should be considered: the membrane should be as thin as possible, be mechanically robust, and have welldefined pore sizes. These features will maximize its solvent flux, preserve it from fracture, and guarantee its selectivity. Graphene is made up of a hexagonal honeycomb lattice of carbon atoms with sp2 hybridization state forming a one-atom-thick sheet of graphite. Following conversion of the honeycomb lattices into nanopores with a specific geometry and size, a nanoporous graphene membrane that offers high efficiency as a separation membrane because of the ultrafast molecular permeation rate as... 

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... 

Desalination of sea saline water seems a successful solution to supply clean water. For desalination, novel nanoporous membranes have been proposed as a substitute for the classic reverse osmosis (RO) membranes. The one-atom-thick graphyne membrane has shown great potential in water desalination. By applying functional groups (FGs) into the pores of the monolayer graphyne membranes, the water permeability and the ion rejection were passively increased. The effects of applying various FGs such as Hydrogen, Fluorine, Carboxyl and Amine, effect of the salt concentration, the applied pressure, and the effective diameter of the graphyne pores were determined by molecular dynamics (MD)... 

We use an efficient molecular theory approach to study electrokinetic flow within a pH-responsive nanopore grafted with a polyelectrolyte (PE) brush. The flow rate, migration and convective conductance, electric potential and velocity fields, species distributions and the degree of ionization of the weak PE functional groups and nanopore selectivity are obtained and interpreted while considering pH-induced surface charges. The theory is generally based on writing the overall free energy of the system including the entropies arising from the conformations of flexible, excluded volume chains, the mixing of mobile species, electrostatic contribution, and the free energy due to the chemical... 

The water desalination process using nanoporous single-layer graphene membranes is simulated through classical molecular dynamics. The effect of nanopores shapes on the capacity of the membrane for filtration of water is investigated. According to the results, the geometry of the nanopores considerably affects the performance of the membrane and can completely change the water flow rate and salt rejection. The results reveal that the effective area of the nanopores plays a critical role and for a better understanding of the impact of this parameter, aspect ratio and the equal diameter of noncircular pores based on different methods such as equal area, equal perimeter, and hydraulic diameter... 

In this paper, an atomistic–continuum homogenization multiscale method is developed to study the nonlinear behavior of heterogeneous nanomaterials. The atomistic representative volume element (RVE) with vacancy and/or void defects are analyzed by employing the fully atomistic method, in which the nucleation, migration, and elimination of dislocation, as well as the dislocation-vacancy interaction, are captured. The coarse-scale material domain is modeled within the framework of the nonlinear finite element method, and the impression of nanoscale material defects is investigated by upscaling the stress tensor and tangent modulus from the atomistic RVE based on the Hill-Mandel principle. The... 

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... 

Activated carbon (AC) is an inert adsorbent material that has widely been used in water treatment or removing of environmental pollutants from water. In order to improve the adsorption of AC, which highly depends on its pore size and surface area, we prepared highly porous adsorbent composites of activated carbon (AC)/chromium-based MOF (MIL-101(Cr)). The composite has a high specific surface area of 2440 m2 g−1 and total pore volume of 1.27 cm3 g−1. To show the efficiency of the composite as an adsorbent, the removal kinetics of anionic dyes (Direct Red 31 and Acid Blue 92) from aqueous solutions dependent on the amount of composite, adsorption time, concentration of dye and pH is...