Sharif Digital Repository

The plasmonic effects of infiltrated silver (Ag) nanoparticles, with different contents, inside a nanostructured TiO2 film on the photovoltaic performance of dye-sensitized solar cells (DSSCs) are explored. The synthesized Ag nanoparticles are immobilized onto deposited TiO2 nanoparticles by a new strategy using 3-mercaptopropionic acid (MPA), a bifunctional linker molecule. Transmission electron microscope (TEM) images show that monodispersed Ag and polydispersed TiO2 nanoparticles have an average diameter of 12 ± 3 nm and 5 ± 1 nm, respectively. Moreover, Fourier transform infrared spectroscopy (FTIR) analysis reveals that Ag nanoparticles were successfully functionalized and capped with... 

Copper phthalocyanine can effectively act as alternative small molecule hole transporting material in perovskite solar cells. In order to produce solution processed devices, a soluble copper phtalocyanine has been synthesized by n-butyl substitution and it was compared to commercially available tert-butyl substituted copper phthalocyanine. It was found that the configuration of the butyl chain plays a very important role in film conductivity and in the subsequent efficiency of solar cells, n-bytyl derivative being the most effective hole transporter. Such a result is due to the fact that n-butyl derivative allows better packing of the molecules in the film and stronger π-π interaction  

In this paper we have studied the motion of a nanocar and nanotruck on gold substrate using the classical molecular dynamics method. Analyzing the motion regime of the nanocar at different temperatures is one of the main goals of this paper. In the past years, similar molecules such as Trimmer, Z-car and nanotruck have been simulated by Konyukhov and Akimov. To increase the modeling accuracy in this paper we have used classical molecular dynamics contrary to previous works which used a rigid body molecular dynamics method. The result of our simulations were compared qualitatively to the experimental tests performed by Zhang et al. [12]. There was a good agreement between the results achieved... 

The effect of electrostatic field on the aggregation rate and aggregate size of asphaltene particles precipitated from three different crude oil samples suspended in a mixture of toluene and n-heptane (a model oil) was investigated. An electrode-embedded glass micro-model utilizing a high-voltage direct current power supply was utilized in this study. The asphaltene particle size and the rate of aggregation under the electric field were monitored using a high-resolution optical microscope and the average aggregate size for asphaltene particles was estimated using image processing software. To investigate the effects of structural parameters on asphaltene aggregation rate, aggregate size and... 

In diffusive molecular communication (DMC), the transmitter has to be able to control the release of signaling molecules for modulation of the information bits. In natural cells, pumping ions is an important control mechanism for releasing molecules which is carried out by ion pumps embedded in the membrane. The activity of the ion pumps is controlled by a driving parameter. In particular, light driven pumps are controlled by light intensity and enable a high degree of spatial and temporal control for modulation functionality. In this paper, a modulator based on ion pumps is proposed for DMC which controls the release rate of the molecules from the transmitter by modulating a light intensity... 

The influence of Fe3O4 nanoparticles (NPs) on dielectric properties of planar and homeotropic oriented nematic liquid crystals (NLCs) were studied during the temperature interval of 298–322 °K. It was found that the dielectric permittivity was considerably increased by adding NPs mass percentages. The structural characterization of the synthesized NPs with the scale 14–18 nm has been analyzed by the X-ray diffraction and field-emission scanning electron microscopy results. The obtained dielectric anisotropy ((Formula presented.)) and mean dielectric ((Formula presented.)) have shown an immense increment in the value of 1% and 10% wt. NPs doped NLCs, respectively. These results were assigned... 

A facile approach for the preparation of core-shell structured poly(acrylic acid) (PAA)-coated Fe3O4 cluster@SiO2 nanocomposite particles as the support materials for the lipase immobilization is reported. Low- or high-molecular-weight (1800 and 100 000, respectively) PAA molecules were covalently attached onto the surface of amine-functionalized magnetic silica nanoacomposite particles. The successful preparation of particles were verified by scanning transmission electron microscopy (STEM), X-ray diffraction (XRD), vibrating sample magnetometer (VSM), thermogravimetric analysis (TGA), zeta potential measurement, and Fourier-transform infrared (FTIR) techniques. Once lipase is covalently... 

In radio channels modelings, the phases and amplitudes of the rays undergo some modifications when they are reflected from or transmitted through a particular material. These reflection and transmission coefficients make use of the electrical properties of the materials, thus, it is essential to know the values of the relative dielectric constant and of the conductivity or the loss tangent of the materials that appear in the propagation environments. In this paper, a theoretical model based on the inter-molecule interactions, has been developed and used to estimate the dielectric parameters of glass. ©2009 IEEE  

In this paper, we consider abnormality detection via diffusive molecular communications (MCs) for a network consisting of several sensors and a fusion center (FC). If a sensor detects an abnormality, it injects a number of molecules into the medium which is proportional to its sensing output. Two transmission schemes for releasing molecules into the medium are considered. In the first scheme, each sensor releases a different type of molecule (DTM), whereas in the second scheme, all sensors release the same type of molecule (STM). The molecules released by the sensors propagate through the MC channel and some may reach the FC where the final decision regarding whether or not an abnormality... 

The objective of this paper is to investigate dynamical pull-in behavior of an electrostatic actuated nano-device based on Eringen's nonlocal elasticity theory. The Euler–Bernoulli beam model is used to establish the dynamic equation of motion of the nano-device subjected to both electrostatic and intermolecular forces. The nanobeam is considered with axially immovable ends and the geometrically nonlinearity due to mid-plane stretching is incorporated to the model as well. A new intermolecular attractive force model based on the macroscopic interactions of a circular cross section nanobeam and a flat surface is presented for the carbon nanotube based nano-device. The nonlinear static... 

Perovskite solar cells (PSCs) use perovskites with an APbX3 structure, where A is a monovalent cation and X is a halide such as Cl, Br, and/or I. Currently, the cations for high-efficiency PSCs are Rb, Cs, methylammonium (MA), and/or formamidinium (FA). Molecules larger than FA, such as ethylammonium (EA), guanidinium (GA), and imidazolium (IA), are usually incompatible with photoactive “black”-phase perovskites. Here, novel molecular descriptors for larger molecular cations are introduced using a “globularity factor”, i.e., the discrepancy of the molecular shape and an ideal sphere. These cationic radii differ significantly from previous reports, showing that especially ethylammonium (EA)... 

The multielectron dissociative ionization of CH4 and CH2O molecules has been investigated using optimum convolution of different dual tailored short laser pulses. Based on three dimensional molecular dynamics simulations and TDDFT approach, the dissociation probability is enhanced by designing the dual chirped-chirped laser pulses and chirped-ordinary laser pulses for formaldehyde molecule. However, it is interesting to notice that the sensitivity of enhanced dissociation probability into different tailored laser pulses is not significant for methane molecule. In this presented modifications, time variation of bond length, velocity, time dependent electron localization function and evolution... 

Conformational diseases have been investigated extensively in recent years; as a result, a number of drug candidates have been introduced as amyloid inhibitors; however, no effective therapies have been put forward. RS-0406 with pyridazine as its core chemical structure has so far shown promising results in inhibiting amyloid formation. In the present work, using molecular dynamics, we undertook the investigation of RS-0406 interactions with U-shaped Aβ1−42 and Aβ1−40 pentamers, Aβ1−42 monomers, and double-horseshoe-like Aβ1−42. To set better parameters for the small molecule, experimental and computational log P values were obtained. In addition, an analogue of RS-0406 was also simulated... 

Diffusion weighted imaging is a non-invasive method for investigation of brain fiber bundles. In diffusion tensor imaging (DTI), the diffusion of water molecules is assumed Gaussian, therefore, it can just show a single fiber direction in a voxel. To overcome this limitation, a number of high angular resolution diffusion imaging methods have been proposed. One of these techniques is Q-ball imaging. Using this method, we can extract orientation distribution function (ODF) that shows the orientations of multiple fibers in a voxel. For extracting the fiber directions, the maxima of the ODFs are conventionally determined. However, the results of this approach are sensitive to noise. To improve... 

Highly sensitive flexible humidity sensors based on graphene quantum dots (GQDs) were developed. The GQDs were prepared using a facile hydrothermal method and characterized considering morphological, structural, and compositional experiments. Then, their humidity sensing properties in correlation with flexibility characteristics were investigated. Good selectivity and response (∼390 for a RH change of 99%), broad detection range (1-100% RH), rather short response and recovery times (12 and 43 s, respectively) as well as flexibility were obtained, demonstrating that the GQD sensors have potential for application in wearable electronics and RH monitoring. Detection of hydrogen (H2) gas by the... 

Chemical reactions are a prominent feature of molecular communication (MC) systems, with no direct parallels in wireless communications. While chemical reactions may be used inside the transmitter nodes, receiver nodes or the communication medium, we focus on its utility in the medium in this paper. Such chemical reactions can be used to perform computation over the medium as molecules diffuse and react with each other (physical-layer computation). We propose the use of chemical reactions for the following purposes: (i) to reduce signal-dependent observation noise of receivers by reducing the signal density, (ii) to realize molecular physical-layer network coding (molecular PNC) by...