In order to fabrication of transparent glass-ceramics with Li-MICA nano crystals, the glasses with cheMICAl composition of 94.9 mass% Li (1+x) Mg3AlSi3 (1+x) F2 (x=0.5) with 5.1 mass% MgF2 were crystallized. The glasses were fabricated via the conventional melt-quenching technique. MICA crystals were precipitated in the glass phase by later heat treatment. Glass samples had glass transition temperature (Tg), 557oC, softening temperature (Ts), 603o C, and crystallization peak temperature (Tp), 655oC. The fine MICA crystals with size of separation. It’s confirmed that both as-quenched and heat-treated samples are transparent in the visible wavelength.

A systematic study of neutral mixed clusters, Li6-x Nax, Li6-x Kx and K6-x Nax (x=0-6), was performed within the framework of density functional theory. The aim of this work is to explore the geometry variation and the energy change of homonuclear hexamers (Li6 and K6) induced by impurities. It is found that the geometry of bimetallic hexamers varies with their compositions. The geometries of resulting clusters show evolution from D4h symmetry for Li6 to D3h symmetry for Na6 and K6. The stability of bimetallic hexamers has been also explained in terms of binding energy, excess energy, the second difference in energy, and the highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO-LUMO) gaps. It is found that replacing each Li–Li bond with Li–Na or Li–K bonds decreases the cluster stability, while replacing each K–K bond by K–Na leads to stability enhancement. Examining the cluster stability, excess energy and second difference in energy reveal that among studied bimetallic hexamers, Li2Na4 is the most stable mixed hexamer.

Li-rich Mn-based layered oxides, which are considered as solid solutions of xLi2MnO3. (1-x)LiMn0. 33Ni0. 33Co0. 33)O2 have attracted much attention for their high theoretical capacity (>250 mAh g-1) and operating voltage (>3. 5 V vs. Li/Li+). In this research work, synthesis, electrocheMICAl investigation of Li1. 2Mn0. 54Ni0. 13Co0. 13O2 and influence of the doping Pr3+ ion on its structure and properties has been investigated. These Li-rich cathode materials with the general formula of Li1. 2Mn0. 54-xNi0. 13Co0. 13PrxO2 (x=0, 0. 01, 0. 03, 0. 05) have been synthesized by a hydrothermal method. The synthesis of samples and increase of cell volume was confirmed by X-ray diffraction. The stoichiometric ratios for x=0. 03 according to experimental formula of Li1. 2Mn0. 50Ni0. 12Co0. 13Pr0. 02O2 were determined by inductively coupled plasma (ICP) method. In order to better understand the morphology of the synthesized samples, SEM analysis was applied and in order to specify particles distribution, EDS images were prepared. The purpose of this study is achieving better electrocheMICAl properties such as cycle performance. The ability of these materials as a cathode in Li-ion batteries was studied with cyclic voltammetry, ElectrocheMICAl Impedance Spectroscopy (EIS) and galvanostatic charge/discharge methods. The doped compound with x=0. 03 exhibited the higher columbic efficiency and cycle performance, which delivering an initial discharge capacity of 247 mAh g-1 at 0. 05 C and 195 mAh g-1 after 10 cycles with capacity retention of 79%, compared to pristine sample with capacity retention of 62% retention. The columbic efficiency of the pristine sample was promoted from 79% to 83% for the doped sample. The results of EIS demonstrated that doping with Pr3+ ions reduces the charge transfer resistance from 696 μ Ω to 252 μ Ω and facilitates the Li ion diffusion.