Sharif Digital Repository

In this paper, we aim to account for the partitioning of finite sized ions and electric double layer (EDL) overlapping effects on the electrostatics and hydrodynamics of soft nanofluidics by stablishing a modified Poisson-Boltzmann (MPB) equation enjoying mean field approach. The application of the present MPB equation enables us to describe the interaction between the steric effect and electrostatic repulsion of EDL ions due to permittivity difference of polyelectrolyte layer (PEL) and electrolyte solution. Utilizing the Debye-Hückel approximation pertinent to low surface potentials, we analytically derive the solutions of electric potential and velocity profiles of mixed electroosmotic and... 

The effect of substitutional Li doping into NiOx hole transporting layer (HTL) for use in inverted perovskite solar cells was systematically studied. Li doped NiOx thin films with preferential crystal growth along the (111) plane were deposited using a simple solution-based process. Mott-Schottky analysis showed that hole carrier concentration (NA) is doubled by Li doping. Utilizing 4 % Li in NiOx improved the power conversion efficiency (PCE) of solar devices from 9.0 % to 12.6 %. Photoluminescence quenching investigations demonstrate better hole capturing properties of Li:NiOx compared to that of NiOx, leading to higher current densities by Li doping. The electrical conductivity of NiOx is... 

Nitrates of lithium, cobalt and nickel are utilized to synthesize LiNi 0.8Co0.2O2 cathode material through sol-gel technique. Various synthesis parameters such as calcination time and temperature as well as chelating agent are studied to determine the optimized condition for material processing. Using TG/DTA techniques, the optimized calcination temperatures are selected. Different characterization techniques such as ICP, XRD and TEM are employed to characterize the chemical composition, crystal structure, size and morphology of the powders. Micron and nano-sized powders are produced using citric/oxalic and TEA as chelating agent, respectively. Selected powders are used as cathode material... 

A straightforward three-stage method was applied to fabricate a super-hydrophobic mixed-matrix nanofiber membrane using the electrospinning method for desalination purpose. First, a hydrothermal technique was applied to synthesize a super-hydrophobic nano-sheet, called octadecylamine-reduced graphene oxide (ODA-rGO) with a water contact angle of 162°, which was then added to PVDF-HFP dope solution. After, 0.005 wt% LiCl was added to the dope solution to decrease the mean pore size by increasing solution conductivity. Moreover, some membranes were hot-pressed to improve liquid entry pressure (LEP). Eventually, a top-quality nanofiber membrane was synthesized using 0.1 wt% ODA-rGO and 0.005... 

Nowadays, the importance of the blood particles separation is undeniable in medical fields and there are different sorts of separation methods accordingly. Acoustic cell separation is chosen in this paper. Also, numerical methods have been used to study the effect of geometrical factors on the separation of the particles before spending time and expenses in a trial and error manner experimentally. We have implemented a plenary finite-element-based simulation of separatingblood particles such as white blood cells and platelets in an acoustic field using standing surface acoustic waves. In this paper, unlike previous works in which the channel is rectangular; the channel is trapezoidal in... 

(Lanthanum, Cerium)(Iron, Manganese, Cobalt, Palladium)(Oxygen)3- Perovskite catalyst was prepared by the citrate route and deposited on ceramic monoliths via dip coating procedure. The catalyst was applied on a car with XU7 motors and the amount of emission was monitored with vehicle emission test systems in Sapco company. The results were compared with the imported catalyst with noble metals such as palladium, platinum and rhodium by Iran Khodro company based on the Euro III standards. The catalysts were characterized by specific surface area measurements, scanning electron microscopy, X-ray diffraction, line scan and map. In the results, obtained in the home made sample, the amount of... 

The current paper reports the deposition of sulfur micro-particles using sulfur vapor deposition (SVD). Sulfur particles in size of 5 to 45 μm were deposited on a stainless steel substrate to be used as the cathode with porous structure in lithium sulfur (Li-S) batteries. Mass loading of about 0.5 mg cm-2 was obtained from this pure sulfur cathode. The structure of this binder-free cathode was characterized by field emission scanning electron microscopy (FESEM), x-ray spectroscopy (EDS), and x-ray diffraction (XRD). The electrochemical performance of the battery with two different organic liquid ether- and carbonate-based electrolytes was investigated and the results demonstrated that the... 

We introduce an effective method for copper indium sulfide selenide (CISSe) doping with different alkali metals (Li, Na and K) based on a pre-deposited alkali chloride layer. A simple and fast spray method is used for pre-deposition of alkali chloride layer (LiCl, NaCl, KCl) on substrate surface before spray pyrolysis deposition of copper indium disulfide CuInS2 (CIS) films followed by selenization. The different properties of alkali-doped CISSe films by the alkali chloride pre-deposition (ACPD) method were compared to the post-deposition treatment (PDT) method. Based on FESEM images, a highly compact film with large grains can be obtained for CISSe films doped with K(∼0.72 μm) and Na (∼0.56... 

This paper aims at the investigation of acoustic streaming produced by surface acoustic waves (SAWs) in a drop. Computational simulation of acoustofluidic phenomenon, using lattice Boltzmann method (LBM), presenting acoustic applications in flow control, and a relatively complete parametric study are the motivations of this work. For this purpose, a computational fluid dynamics modeling based on multi-relaxation time multi-component multiphase color gradient lattice Boltzmann method was used. The simulations were carried out at wave frequencies ranging from 20 MHz to 271 MHz and wave amplitudes ranging from 0.5 nm to about 350 nm. First, the non-dimensional form of Navier-Stokes equations... 

Co-free Li-rich manganese nickel oxide (LMNO) materials are emerging as an up-and-coming candidate for high-energy–density cathodes. However, they suffer from severe cycling capacity fading and poor performance rates. Herein, the surface functionalization of an LMNO cathode is designed by polypyrrole (PPy) nanostructure coating. We found that PPy nanoparticles@LMNO cathode exhibits high-capacity retention and enhanced rate capabilities, delivering a discharge capacity as high as 191 mAh g−1, with capacity retention of 96%, after ∼ 200 cycles at a current density of 20 mA g−1. The results indicate that the intercalation and doping pseudocapacitance can be varied depending on the synthesis... 

Various alcohols and phenols were silylated to trimethylsilyl ethers with hexamethyldisilazane in the presence of solid lithium perchlorate under very mild, neutral, and solvent-free conditions in good to excellent yields  

A 1-D heterogeneous model of sorption-enhanced steam methane reforming (SE-SMR) process in a packed bed reactor consisting of nickel catalyst well mixed with CO2 sorbent particles is investigated for three types of common sorbents. The performance of SE-SMR process is studied under low medium pressure conditions (3 – 11 bar) to find the optimum operating conditions. Optimal CaO sorption corresponding to 82% CH4 conversion and 85% H2 purity is found at 900 K, 3 bar, 3.5 kgm−2s−1 and S/C of 3.0. In contrast, lithium zirconate (LZC) and hydrotalcite (HTC) sorbents exhibited best sorptions under the operating conditions of 773 K, 5 bar and S/C of 3 with CH4 conversion of 91.3% and 55.2%, and H2... 

Lithium ions play a crucial role in the energy storage industry. Finding suitable lithium-ion-conductive membranes is one of the important issues of energy storage studies. Hence, a perovskite-based membrane, Lithium Lanthanum Titanate (LLTO), was innovatively implemented in the presence and absence of solvents to precisely understand the mechanism of lithium ion separation. The ion-selective membrane’s mechanism and the perovskite-based membrane’s efficiency were investigated using Molecular Dynamic (MD) simulation. The results specified that the change in the ambient condition, pH, and temperature led to a shift in LLTO pore sizes. Based on the results, pH plays an undeniable role in... 

Low temperature lithium titanate compounds (i.e., Li4Ti 5O12 and Li2TiO3) with nanocrystalline and mesoporous structure were prepared by a straightforward aqueous particulate sol-gel route. The effect of Li:Ti molar ratio was studied on crystallisation behaviour of lithium titanates. X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) revealed that the powders were crystallised at the low temperature of 500 °C and the short annealing time of 1 h. Moreover, it was found that Li:Ti molar ratio and annealing temperature influence the preferable orientation growth of the lithium titanate compounds. Transmission electron microscope (TEM) images showed that the average... 

A simple and efficient synthesis of diol diesters, protected chlorohydrins, chlorohydrins and β-hydroxy azides with acetyl or benzoyl, TMSN3 and TMSCl groups has been achieved by ring opening of epoxides with acetic anhydride, acetyl chloride or benzoyl chloride and TMSN3 using catalytic amount of lithium perchlorate under solvent-free conditions. All reactions proceeded in short times and afforded the corresponding products in good to excellent yields under mild reaction conditions. LiClO4 shows enhanced reactivity for the ring opening of epoxides under solvent-free conditions, therefore, reducing the reaction times dramatically and improved the yields and amount of catalyst. © 2007... 

A simple, rapid, atom economy and highly efficient procedure has been developed for thiolysis of epoxides by aromatic and aliphatic thiols under solvent-free conditions. A high regioselectivity in favor of nucleophilic attack at the benzylic carbon atom of aromatic epoxides, such as styrene oxide, is observed. However, aliphatic unsymmetrical alkenyl oxides undergo selective nucleophilic attack at the sterically less hindered carbon atom. A variety of β-hydroxy sulfides were obtained in short reaction time and excellent yields with nearly complete regioselectivity. © 2005 Elsevier B.V. All rights reserved  

The purpose of this article is to investigate the shielding performance of the B2O3-Bi2O3-ZnO-Li2O glasses against the gamma-ray. To this end, the attenuation parameters of the gamma-ray inside the B2O3-Bi2O3-ZnO-Li2O glasses were evaluated in the energy range of 200–1500 keV. It was found that the mass attenuation coefficient of the composites increases with increasing the Li2O content. The relative percent deviation between the results of simulation using the MCNPX and XCOM database in most cases was less than 2%. Additionally, the Mean Free Path (MFP) and Half-Value Layer (HVL) parameters were evaluated, and the shielding efficiency of samples was compared with some conventional shielding... 

This study has investigated the effect of carbon coating on the electrochemical performance of SnO2 Nanowires (NWs) as an electrode along with a bis (trifluoromethane) sulfonimide lithium (LiTFSI)-based electrolyte in a lithium-ion battery (LIB). The vapor-liquid-solid approach has been used to grow SnO2 NWs on the stainless steel mesh current collector. The obtained results have demonstrated that the utilization of the LiTFSI-based electrolyte improved the battery performance with the SnO2 NWs electrode over the LiPF6-based electrolyte. This may be due to the formation of a stable and thin solid electrolyte interphase layer. Since bare SnO2 NWs exhibit inferior cycling stability due to... 

The main drawback of lithium-sulfur (Li-S) batteries which leads to a short lifetime, is the shuttle effect during the battery operation. One of the solutions to mitigate the shuttle effect is the utilization of interlayers. Herein, graphene oxide (GO) paper as an interlayer has been implemented between the sulfur cathode fabricated by the vapor deposition process as a binder-free electrode and a separator in a Li-S battery in order to gain a sufficient capacity. The morphological characteristics and electrochemical performance of the fabricated electrode have been investigated. The fabricated battery demonstrates an initial discharge capacity of 1265.46 mAh g-1 at the current density of 100... 

Titanium nitride/graphene nanocomposite as an anode material of lithium ion batteries has been fabricated through the reaction of TiCl4 and NaN3 in supercritical benzene medium followed by ammonia treating at 1000 °C for 10 h. The synthesized TiN/G nanocomposite depicts rate-dependent behavior in such a way that it shows specific capacity of 115 mAh g−1 when is cycled at higher rate (1.6 C) while it shows 76 mAh g−1 when is cycled initially at lower rate (0.2 C) and is subsequently subjected to higher rate (1.6 C). Moreover, TiN/G anode demonstrates capacity retention of 112%, 100%, and 70% after 250 cycles at charge/discharge rates of 1.6, 0.7, and 0.2 C, respectively. This unusual behavior...