Sharif Digital Repository

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... 

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... 

LiCoO2 nanopowders, one of the most important cathode materials for lithium-ion batteries, were synthesized via a modified sol-gel process assisted with triethanolamine (TEA) as a complexing agent. The influence of three different chelating agents including acrylic acid, citric acid, and oxalic acid on the size and morphology of particles was investigated. Structure and morphology of the synthesized powders were characterized by thermogravimetric/ differential thermal analyses (TG/DTA), X-ray diffraction (XRD), and transmission electron microscopy (TEM). Results indicate that the powder processed with TEA and calcinated at 800 °C had an excellent hexagonal ordering of α-NaFeO2 -type (space... 

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... 

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... 

Na3MnCO3PO4 (NMCP) particles were synthesized via ball milling of Mn(NO3)2.4H2O, Na2HPO4.2H2O and Na2CO3.H2O powders. The particles were anchored onto reduced graphene oxide (rGO) sheets during hydrothermal reduction process under stirring. Materials produced were characterized by x-ray diffraction (XRD), Raman spectroscopy, field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), thermogravimetric (TG) measurement and galvanostatic charge/discharge tests. Results showed that dissolution of ball milling products in DI water is an effective method for separation of NMCP from byproducts. Best milling time for production of pure NMCP of minimum particle... 

This paper concentrates on degradation of electric vehicle (EV) lithium-ion batteries in vehicle-to-grid (V2G) programs and proposes a practical wear cost model for EVs charge scheduling applications. As the first step, all the factors affecting the cycle life of lithium-ion batteries are identified and their impacts on degradation process are investigated. Subsequently, a general model for battery loss of cycle life is devised incorporating all the pertinent factors associated with charging and discharging activities in V2G applications. Modeling the battery wear cost as a series of equal-payments over the cycle life, a mechanism for calculating the cost incurred by EV users due to... 

(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... 

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... 

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... 

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... 

In this research, we investigate the effect of alkali metal cations including Li, Na and Cs in hydrothermal solution on the morphology, stability, and photoactivity of nanostructured TiO2 nanoflakes as a photoanode. The TiO2 nanoflakes are formed through hydrothermal treatment of Ti foil in 1.0 M LiOH, NaOH or CsOH at 100 °C for 3 h. By subsequent thermal reduction of the structure in an optimized Ar/H2 environment, conductive TiO2 nanoflakes were formed. The reduction treatment remarkably improves the photocurrent density of the TiO2 nanoflakes and has the highest impact on the sample treated in the NaOH alkali solution. For the nanoflakes produced in NaOH alkali solution, the bandgap is... 

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... 

An intense decrease in cycling performance and safety is a challenge for elevated temperature application of LiNi0.5Co0.2Mn0.3O2 (NCM) cathode material. In this paper, effect of two types of nano-coatings on improvement of elevated temperature performance of NCM cathode material has been investigated. One of the coatings contains SiO2 nanoparticles and the other one contains composite of reduced graphene oxide and SiO2 nanoparticles (rGO-SiO2). The coatings were fabricated by a facile wet chemical method. The SiO2 coated cathode material showed an excellent elevated temperature cycling stability, however, a decrease in discharge capacity and rate capability of this sample was observed. On... 

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 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. © 2005 Elsevier B.V. All rights reserved  

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  

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. © 2005 Elsevier B.V. All rights reserved  

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...