Sharif Digital Repository

The anode materials are one of the critical components in rechargeable lithium ion batteries (LIBs). The monoclinic tungsten trioxide (mWO3) is introduced as interesting anode electrode for LIBs due to its good structure for intercalation and de-intercalation of lithium ions, high abundance and various oxidation state of tungsten and etc. In this study, we prepare and investigate the effect of various amounts of nickel dopant on characteristics and electrochemical properties of the mWO3 as the anode electrode in a rechargeable LIB. The experimental investigations confirm that the number of nickel atoms has a remarkable effect on controlling spherical particle diameter, crystallite size, and... 

In this work, cycling-induced aging occurring in 18650-type LiFePO4/graphite full cells at different C-rates is studied extensively. The mechanism of performance degradation is investigated using a combination of electrochemical and microstructural analyses. Half-cell studies are carried out after dismantling the full cells, using fresh and cycled LiFePO4 cathode and graphite anode to independently study them. The results show that the capacity of LiFePO4 electrodes is significantly recovered. The rate of capacity fading in the discharge state considered as irreversible capacity in the graphite is higher than LiFePO4 half cells, indicating a greater degradation in the performance of this... 

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... 

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... 

LiClO4 is used as catalyst for direct Mannich-type reaction of aryl aldehydes, aryl amines, and diethyl malonic ester under solvent-free conditions. This three-component reaction afforded the corresponding β-amino esters in good yields with simple and environmentally benign procedure. Copyright © Taylor & Francis Group, LLC  

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  

Performance optimization of a single-effect lithium bromide water absorption refrigeration system is the subject of this paper. First, the thermodynamic model of the system wasderived based on the first and second law analysis of an absorption refrigeration cycle with LiBr-water as the working fluid pair. Then, the effects of different design parameters such as the generator inlet hot water temperature, evaporator inlet chilling water temperature and absorber and condenser inlet cooling water temperatures on the performance of the systemwere investigated. In order that, by defining the coefficient of performance (COP), exergy efficiency (Second-law efficiency) and total cost function of the... 

The objective of this study was to evaluate the effects of P 2O5 particle size distribution on the crystalline phases and microstructure of lithium disilicate glass-ceramics derived from the TiO2-ZrO2-Li2O-CaO-Al2O 3-SiO2 system for dentistry applications. The samples were made via fusion and casting procedure. Crystallisation as well as the morphology and microstructure of the samples were investigated using X-ray diffraction, differential scanning calorimetric and scanning electron microscopy. The results showed that the crystallisation of the samples occurred in the range of 500-650°C. The main crystalline phase was lithium disilicate (Li2Si2O5) along with Lithium metasilicate (Li2SiO3),... 

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... 

Today, Li-ion batteries (LIBs) are the most common rechargeable batteries used in electronic devices. SnO2 with theoretical specific capacity of 782 mAh/g is among the best anode materials for LIBs. In this report, Threedimensional SnO2 nanowires (NWs) on carbon nanotube (CNT) thin film (SnO2 / CNT) is fabricated using a combination of vacuum filtration and thermal evaporation techniques. The resulting 3D heterostructure SnO2/CNT was characterized by X-ray diffraction, transmission electron microscopy (TEM) and scanning electron microscopy (SEM). This fabricated SnO2/CNT electrode has been tested as a flexible and binderfree anode for LIB, which exhibits high initial discharge/charge... 

The main process in lithium-ion batteries is insertion/extraction of lithium into/from active electrode particles. Some active material of lithium-ion battery electrodes experiences a large volume change due to changes in lithium concentration. Since the failure of the electrode might be caused by large stresses, the mechanical phenomena in the electrode which are associated with the insertion and extraction of lithium, are of particular importance. This paper establishes an integrated framework of balance laws and thermodynamically consistent equations which couples lithium diffusion with a small elastic deformation. We investigate the effect of hydrostatic stress on lithium diffusion and... 

According to the importance of polyanion cathode materials in intercalation batteries, they may play a significant role in energy-storage systems. Here, evaluations of LiMBO3 and NaMBO3 (M = Mn, Fe, Co, Ni) as cathode materials of Li-ion and Na-ion batteries, respectively, are performed in the density functional theory (DFT) framework. The structural properties, structural stability after deintercalation, cell voltage, electrical conductivity, and rate capability of the cathodes are assessed. As a result, Li compounds have more structural stability and energy density than Na compounds in the C2/c frame structure. Cell voltage is increased by increasing the atomic number of the transition... 

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 convenient and efficient procedure for electrophilic aromatic bromination has been developed by mixing of N-bromosuccinimide and an aromatic compound at room temperature on the surface of silica gel mixed with solid anhydrous LiClO4. All of the substrates examined underwent clean electrophilic aromatic bromination in reaction times of a few minutes to afford the corresponding bromoarenes under neutral conditions in excellent yield. In the case of thiophenol, no substitution reaction occurred, and the corresponding disulfide was obtained in excellent yield. © 2005 NRC Canada  

One-pot, three-component, Mannich reaction of naphthols with in situ prepared imines in 5 M ethereal lithium perchlorate at room temperature affords the corresponding aminoalkylated products in high yields with high diastereoselectivities. The process is exemplified by the reaction of 2-naphthol with (R)-1-phenylethylamine and an aromatic aldehyde in concentrated ethereal lithium perchlorate solution, which affords a highly diastereoselective access to the requisite 2-aminoalkylated product. © 2003 Elsevier Science Ltd. All rights reserved