Sharif Digital Repository

The temperature and voltage dependence of spin transport is theoretically investigated in a new type of magnetic tunnel junction, which consists of two ferromagnetic outer electrodes separated by a ferromagnetic barrier and a nonmagnetic (NM) metallic spacer. The effect of spin fluctuation in magnetic barrier, which plays an important role at finite temperature, is included by taking the mean-field approximation. It is found that, the tunnel magnetoresistance (TMR) and the electron-spin polarization depend strongly on the temperature and the applied voltage. The TMR and spin polarization at different temperatures show an oscillatory behavior as a function of the NM spacer thickness. Also,... 

We report on magnetoresistance measurements in thin nickel films modulated by a periodic magnetic field emanating from micromagnetic arrays fabricated at the film surface. By increasing the strength of the magnetic potential using nickel and dysprosium micromagnets, we are able to quench the anisotropic magnetoresistance (AMR) in the film. © 2005 Elsevier B.V. All rights reserved  

We examine the olfactory discrimination of left- and right-handed enantiomers of chiral odorants based on the odorant-mediated electron transport from a donor to an acceptor of the olfactory receptors embodied in a biological environment. The chiral odorant is effectively described by an asymmetric double-well potential whose minima are associated to the left- and right-handed enantiomers. The introduced asymmetry is considered an overall measure of chiral interactions. The biological environment is conveniently modeled as a bath of harmonic oscillators. The resulting spin-boson model is adapted by a polaron transformation to derive the corresponding Born-Markov master equation with which we... 

The electron transport characteristics of a 1,10-dimethylene-1,10-dicarba-closo-decaborane (10-vertex carborane) single molecular conductor is investigated via the density functional-based non-equilibrium Green's function (DFT-NEGF) method. We consider three configurations for the molecular wire sandwiched between two Au(1 0 0) electrodes: the hollow site, top site and bridge site positions. Our results show that the energetically favorable hollow site configuration has a higher current intensity than the other configurations. The projection of the density of states (PDOS) and the transmission coefficients T(E) of the two-probe system at zero bias are analyzed, and it suggests that the... 

Perovskite solar cells (PSCs) have shown rapid progress in a decade of extensive research and development, aiming now towards commercialization. However, the development of more facile, reliable, and reproducible manufacturing techniques will be essential for industrial production. Many lamination methods have been initially designed for organic photovoltaics (OPVs), which are conceptually similar to PSCs. Lamination could provide a low-cost and adaptable technique for the roll-to-roll production of solar cells. This review presents an overview of lamination methods for the fabrication of PSCs and OPVs. The lamination of different electrodes consisting of various materials such as metal back... 

Semiconductor photoelectrodes for water oxidation that absorb visible light usually have poor electronic transport properties and small optical absorption coefficients near their absorption edge. Therefore, innovative designs that lead to significant optical absorption in relatively thin layers of these compounds are highly desirable. Here, using full-field electromagnetic optical simulations, we demonstrate that a monolayer of resonant-size BiVO4 spheres can provide enhancement up to a factor of two in solar light absorption relative to dense planar layers. In this monolayer, BiVO4 spheres do not need to be interconnected; therefore, such monolayers are flexible and their fabrication... 

We analyze an experiment in which two distinct superconducting phases YBa2Cu3O7-δ (Y123) and Y 3Ba5Cu8O18-δ (Y358) coexisted. This experiment enabled us to characterize the recently introduced Y358 phase in contrast to the Y123 phase, thus to resolve some discrepancies reported in associated properties of Y358. Specifically, our experiment indicates the transition temperature Tmid C = 105 K and 94 K for Y358 and Y123, respectively, and that Y358 has five CuO2 planes and three CuO chains, with Pmm2 symmetry and lattice parameter (a, b, c) = (3.845, 3.894, 31.093) Å, in agreement with density functional theory predictions for this specific structure  

Abstract: A novel simple synthetic procedure for improving cell efficiency and reducing the production cost of TiO2 dye-sensitized solar cells (DSSCs) by modification and optimization of homemade formulated paste is reported. This is achieved in terms of morphological manipulation of deposited monolayer TiO2 films by controlling three processing parameters of paste formulation. These parameters are tailored to obtain a paste with proper viscosity suitable for spin-coating technique and to achieve uniform, homogeneous, and crack-free films with good connections between TiO2 grains and porous structure. Photovoltaic measurements show that TiO2... 

Three-dimensional TiO2 nanostructures take advantages of large surface area and superior light-harvesting efficiency, as well as appropriate charge carrier transport and separation features. Here in this research, we report for the first time on measurement of density of localized trap states in three-dimensional TiO2 nanostructures with various morphologies. Bare 1-dimensional TiO2 nanofibers have been synthesized via two different methods: electrospinning and hydrothermal processes. The surface of TiO2 nanofibrous has been modified with nanoparticles and nanobranches thorough second hydrothermal process. Various morphologies of nanostructured TiO2 have been fabricated including... 

In this paper, we study the electrical transport and Negative Differential Resistance (NDR) in a single molecular conductor consisting of a cysteine sandwiched between two Au(111) electrodes via the Density Functional Theory-based Nonequilibrium Green's Function (DFT-NEGF) method. We show that (surprisingly, despite their apparent simplicity, these Au/cysteine/Au nanowires are shown to be a convenient NDR device) the smallest two-terminal molecular wire can exhibit NDR behavior to date. Experiments with a conventional or novel self-assembled monolayer (SAM) are proposed to test these predictions. The projected density of states (PDOSs) and transmission coefficients T(E) under various... 

Fullerene derivatives with a strong electron-accepting ability play a crucial role in enhancing both the performance and stability of perovskite solar cells (PSCs). However, most of the used fullerene molecules are based on [6,6]-phenyl-C61-butyric acid methyl ester (PCBM), which limits the device performance due to difficulties in preparing high-quality and uniform thin films. Herein, solution-processable azahomofullerene (AHF) derivatives (abbreviated as AHF-1 and AHF-2) are reported as novel and effective electron-transport layers (ETLs) in p-i-n planar PSCs. Compared to the control PCBM ETL-based PSCs, the devices based on AHFs exhibit higher photovoltaic performances, which is... 

Precious metal-free electrocatalysts based on two-dimensional nanomaterials have efficiently been used for oxygen evolution reaction; however, the low activity and stability of these materials as compared with noble metals are still distractive. We present a novel and high-performance electrocatalyst based on nanowires of mixed transition metal oxysulfide supported by three-dimensional highly porous graphene networks. Electrochemical studies indicated that the high electron transport medium of nanowires and bilayer graphene nanosheets as well as their high active surface area promote the kinetics of oxygen evolution reaction (OER). A quite small overpotential of 260 mV at the current density... 

Hereby a simple, low-cost and scalable route is being presented for preparation of binder-free electrodes of reduced graphene oxide (RGO) on Ni foam (Ni/Gr). In this regard, the Ni foams are dipped in graphene oxide (GO) slurry. Next, the GO loaded Ni foams are kept in a freeze dryer for 24 h and heated up to 800 °C in an inert atmosphere. In this approach, the amount of active materials can be easily optimized for capacitive deionization (CDI). The characterization of Ni/Gr electrodes revealed a 3D porous assembly of RGO on Ni substrate which is helpful for the fast ion diffusion and rapid electron transport. The electrochemical performance of the prepared electrodes is investigated in both... 

In the present work, we focused on simultaneously control electron injection and electron transport, in dye-sensitized solar cells (DSSCs), aided by introducing Cr3+ and CNTs into a TiO2 photoanode, respectively. X-ray photoelectron spectroscopy (XPS) revealed that, Cr 3+ and CNTs were successfully incorporated into the TiO2 lattice without forming secondary phases. X-ray diffraction (XRD) analysis showed that Cr introduction has perfectly balanced the amount of anatase and rutile phases in order to accomplish a more efficient cell. Field emission scanning electron microscope (FE-SEM) images showed deposited films to have a porous morphology composed of nanoparticles and TiO2 nanoparticles... 

Bromophenols are known as antioxidant radical scavengers for some biomolecules such as those in marine red alga. Full understanding of the role played by bromophenols requires detailed knowledge of the radical scavenging activities in probable pathways, a focus of ongoing research. To gain detailed insight into two suggested pathways, H-atom transfer and electron transfer, theoretical studies employing first principle quantum mechanical calculations have been carried out on selected bromophenols. Detailed investigation of the aforementioned routes revealed that upon H-atom abstraction or the electron transfer process, bromophenols cause an increase in radical species in which the unpaired... 

TiO2 nanotubes were synthesized using a modified autoclave-free thermal method from as-prepared initial powders. The size of initial powders (IP) was found to be critical in determining the morphology and crystal structure of the final product. Oleylamine (OA) was used as the polymer agent in the preparation of initial powders with different mol ratios of OA/Ti: 1, 5, and 10. X-ray diffraction analysis depicted that the increase of mole ratio up to 10 resulted in smaller nanoparticles with the sizes of about 8 nm. It was also deliberated that low temperature thermally treated IP showed the characteristic diffraction pattern of titanate phase of nanotubes. Scanning electron... 

In this work, a comparative study has been performed on two ex-situ and one in-situ doping of titania photoanodes with reduced graphene oxide. The presence of finely dispersed reduced graphene oxide facilitates electron transport and reduces electron-hole recombination resulting in a better performance of doped titania photoanodes. It was found that in-situ doping, i.e. introduction of graphene oxide in solution together with titania precursor was the most performant case of graphene doping. This result was obvious by studying dye-sensitized solar cells based on such doped photoanodes but was also and mainly analytically demonstrated by subjecting the obtained materials to characterization... 

Despite the wide application ranges of TiO2, the precise explanation of the charge transport dynamic through a mixed crystal phase of this semiconductor has remained elusive. Here, in this research, mixed-phase TiO2 nanotube arrays (TNTAs) consisting of anatase and 0-15% rutile phases has been formed through various annealing processes and employed as a photoelectrode of a photovoltaic cell. Wide ranges of optoelectronic experiments have been employed to explore the band alignment position, as well as the depth and density of trap states in TNTAs. Short circuit potential, as well as open circuit potential measurements specified that the band alignment of more than 0.2 eV exists between the... 

In this work, the antioxidant ability of fisetin was explored toward hydroxyl (•OH) radical in aqueous and lipid solution using density functional level of theory. Different reaction mechanisms have been studied: hydrogen atom transfer, single electron transfer followed by proton transfer, and radical adduct formation, and sequential proton loss electron transfer. Rate constants for all possible reaction sites have been calculated using conventional transition state theory in conjunction with the Collins-Kimball theory. Branching ratios for the different channels of reaction are reported for the first time. Results show that the reactivity of fisetin toward hydroxyl (•OH) radical takes place... 

We decorated Zn-doped TiO2-nanoparticle-based photoanodes with carbon nanotube (CNT)-derived TiO2 nanotubes (TNs) to enhance the power conversion efficiency of dye-sensitized solar cells (DSCs). X-ray photoelectron spectroscopy analysis verified that Zn ions, in the range of 0 to 1 at %, were successfully doped into the TiO2 lattice. Field-emission SEM and TEM images of the TNs, as derived from the sol–gel template-assisted route, revealed that a uniform TiO2 coating with a thickness of 60 to 120 nm was deposited on the surface of the CNT template through a noncovalent route. We observed that the cell efficiency improved from 6.80 for pure TiO2 to 7.52 for 0.75 at % Zn-doped TiO2...