Sharif Digital Repository

A very efficient and mild procedure for the trimethylsilylation of a wide variety of alcohols, including primary, allylic, benzylic, secondary, hindered secondary, tertiary, and phenols with hexamethyldisilazane on the surface of silica gel dispersed with LiClO4 in room temperature at few minutes in excellent yields under neutral conditions is reported. This procedure also allows the excellent selectivity under LP-SiO2 system for silylation of alcohols in the presence of amine and phenolic hydroxy groups  

A simple, rapid, and highly regioselective green protocols for the synthesis of β-hydroxylnitriles by the direct reaction of epoxides with trimethylsilyl cyanide in the presence of catalytic amount of lithium perchlorate under solvent free conditions in high to quantitative yield is reported  

One of the most relevant negative characteristics of high-capacity cathodes for lithium batteries is indeed non-flat voltage-time (V-t) or voltage-capacity (V-C) behaviour during charge-discharge. A clear rationale for this behaviour has not yet been addressed in the literature. Here, by means of density functional theory (DFT) calculations corroborated by basic experimental electrochemical characterization, we investigated both the thermodynamic and the kinetic aspects relevant to voltage variations during charge-discharge of Li2FeSiO4 intended as a model case. A simple physical model allowed us to take into account all the experimental evidence. We suggested that voltage deviations from... 

Charge-discharge rate capability is one of the most important properties of cathode materials for lithium batteries, in particular when envisaging high power density applications such as automotive applications. Efforts to modify rate have been carried out by carbon coating and decreasing particle size in order to modify electronic and ionic conductivity. However, this approach cannot justify all experimental data reported in the literature. Here, we investigated the rate capability of cathode materials by considering their density of states (DOS) calculated by several density functional theory (DFT) methods, in both the lithiated and the delithiated case. We suggested that these structures... 

The ion exchange process is a promising method for lithium extraction from brine and seawater having low concentrations of this element. To achieve this goal, it is vital to use an effective adsorbent with maximum lithium adsorption potential together with a stable structure during extraction and insertion of the ions. In this study, titanium dioxide and then lithium titanate spinel with nanotube morphology was synthesized via a simple two-step hydrothermal process. The produced Li4Ti5O12 spinel ternary oxide nanotube with about 70 nm diameter was then treated with dilute acidic solution in order to prepare an adsorbent suitable for lithium adsorption from local brine. Morphological and... 

We report improved performance of Li-ion polymer batteries through advanced gel polymer electrolytes (GPEs). Compared to solid and liquid electrolytes, GPEs are advantageous as they can be fabricated in different shapes and geometries; also ionic properties are significantly superior to that of solid and liquid electrolytes. We have synthetized GPE in form of membranes by trapping ethylene carbonate and propylene carbonate in a composite of polyvinylidene fluoride and N-methylpyrrolidinore. By applying phase-transfer method, we synthetized membranes with micro-pores, which led to higher ionic conductivity. The proposed membrane is to be modified further to have higher capacity, stronger... 

Flow hydrodynamics of laminar falling film of aqueous Li Br solution (Li Br - H2O) on a horizontal elliptical tube has been investigated in this research. The film velocity distribution and film thickness, namely, the flow characteristics are determined by solving analytically simultaneous simplified Navier - Stokes equations and continuity equation in polar and Cartesian coordinates. The analysis is based on steady state laminar flow of falling liquid film of Li Br - H2O on a horizontal elliptical tube in polar model and Cartesian model (CM), for cases in which traction on the film surface is considered negligible. Models are compared with each other in three cases of aspect ratios (Ar),... 

Li's Fourier factorization rules [J. Opt. Soc. Am. A 13, 1870 (1996)] should be applied to achieve a fast convergence rate in the analysis of diffraction gratings with the Fourier modal method. I show, however, that Li's inverse rule cannot be applied for periodic patterns of graphene when the conventional boundary condition is used. I derive an approximate boundary condition in which a nonzero but sufficiently small height is assumed for the boundary. The proposed boundary condition enables us to apply the inverse rule, leading to a significantly improved convergence rate. A periodic array of graphene ribbons is in fact a special type of finite-conductivity strip grating, and thus the... 

An accurate thermal model to predict the heat generation in rechargeable batteries is an essential tool for advanced thermal management in high power applications, such as electric vehicles. For such applications, the battery materials' details and cell design are normally not provided. In this work a simple, though accurate, thermal model for batteries has been developed, considering the temperature- and current-dependent overpotential heat generation and State-of-Charge dependent entropy contributions. High power rechargeable Li-ion (7.5 Ah) batteries have been experimentally investigated and the results are used for model verification. It is shown that the State-of-Charge dependent... 

Transition metal lithium orthosilicates are of interest as cathode materials for lithium batteries. Density functional theory (DFT) calculations were performed to evaluate the structural and electrochemical properties of the different polymorphs of Li2MnSiO4. Our computational studies predict superior properties for the Pmn21 polymorph even after extraction of two Li per formula unit. We state that the shortcomings observed for Li2MnSiO4 as a cathode are caused by two mechanisms. Switching of the magnetic state occurs during the first cycles. The subsequent transition, under delithiated conditions, from the Pmn21 or Pmnb polymorphs to the electrochemically weakest P21/n polymorph is the... 

In the present study, we performed hydrothermal method as a simple and efficient route for the synthesis of rutile TiO 2 nanostructures in various concentrations of lithium hydroxide solutions. TiO 2 nanopowders with average sizes of 15 and 23 nm were prepared using 4 M and 7 M LiOH solutions. X-ray diffraction analysis (XRD), transmission electron microscope (FEG-STEM), scanning electron microscopy (SEM), and Brunauer-Emmet-Teller (BET) analyses were used in order to characterize the obtained products and comparison of the morphology of the powders obtained in different concentrations of LiOH solvent. It was shown that alkali solution concentration has affected the crystallinity,... 

Among major components of LiBr-H 2O absorption chillers is the absorber, which has a direct effect on the chillier size and whose characteristics have significant effects on the overall efficiency of absorption machines. In this article, heat and mass transfer process in absorption of refrigerant vapor into a lithium bromide solution of water-cooled incline plate absorber in the Reynolds number range of 5