Electrochemical Mechanism and Structure Simulation of 2D Lithium-Ion Battery (original) (raw)
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In this thesis, we leveraged on first principles computational materials science techniques to advance our understanding of Li-ion battery technology. Two major components in a Li-ion battery were studied, namely the cathode and the electrolyte. Simultaneous materials advances in these areas are needed to increase the energy density and improve the safety of Li-ion batteries, which are two key design criteria as Li-ion batteries move beyond consumer applications to larger scale applications such as plug-in hybrid electric vehicles and hybrid electric vehicles.
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Lithium-ion batteries are the thriving energy storage device in multiple fields, including automobiles, smart energy grids, and telecommunication. Due to its high complexity in the electrochemical-electrical-thermal system, there are certain non-linear spatiotemporal scales for measuring the performance of lithium-ion batteries. The fusion of experimental and modeling approaches was used in this study to enhance the performance of lithiumion batteries. This article helps to evaluate the properties of the LiMn 2 O 4 cathode material for Li-ion batteries and also characterize the crystalline nature, morphological structure, and ionic and electronic conductivity of the electrode material using an experimental approach. In addition, a new computational model was designed and formulated to support various other models for computational investigation. This simulation was designed to analyze the one-dimensional structure of coin cell batteries and to evaluate electrochemical and thermal performances. All computational performances have been validated with the help of experimental techniques and also provide multiple benchmarks for future integration of experimental and computational approaches.
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Journal of The Electrochemical Society, 2005
The properties of rechargeable lithium-ion batteries are determined by the electrochemical and kinetic properties of their constituent materials as well as by their underlying microstructure. In this paper a method is developed that uses microscopic information and constitutive material properties to calculate the response of rechargeable batteries. The method is implemented in OOF, a public domain finite element code, so it can be applied to arbitrary two-dimensional microstructures with crystallographic anisotropy. This methodology can be used as a design tool for creating improved electrode microstructures. Several geometrical two-dimensional arrangements of particles of active material are explored to improve electrode utilization, power density, and reliability of the Li y C 6 ͉Li x Mn 2 O 4 battery system. The analysis suggests battery performance could be improved by controlling the transport paths to the back of the positive porous electrode, maximizing the surface area for intercalating lithium ions, and carefully controlling the spatial distribution and particle size of active material.
Electrical and structural studies of lithium-ion battery
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A review of conduction phenomena in Li-ion batteries
Journal of Power Sources, 2010
Conduction has been one of the main barriers to further improvements in Li-ion batteries and is expected to remain so for the foreseeable future. In an effort to gain a better understanding of the conduction phenomena in Li-ion batteries and enable breakthrough technologies, a comprehensive survey of conduction phenomena in all components of a Li-ion cell incorporating theoretical, experimental, and simulation studies, is presented here. Included are a survey of the fundamentals of electrical and ionic conduction theories; a survey of the critical results, issues and challenges with respect to ionic and electronic conduction in the cathode, anode and electrolyte; a review of the relationship between electrical and ionic conduction for three cathode materials: LiCoO2, LiMn2O4, LiFePO4; a discussion of phase change in graphitic anodes and how it relates to diffusivity and conductivity; and the key conduction issues with organic liquid, solid-state and ionic liquid electrolytes.
Pure lithium iron phosphate (LiFePO 4 ) and carbon-coated LiFePO 4 (C-LiFePO 4 ) cathode materials were synthesized for Li-ion batteries. Structural and electrochemical properties of these materials were compared. X-ray diffraction revealed orthorhombic olivine structure. Micro-Raman scattering analysis indicates amorphous carbon, and TEM micrographs show carbon coating on LiFePO 4 particles. Ex situ Raman spectrum of C-LiFePO 4 at various stages of charging and discharging showed reversibility upon electrochemical cycling. The cyclic voltammograms of LiFePO 4 and C-LiFePO 4 showed only a pair of peaks corresponding to the anodic and cathodic reactions. The first discharge capacities were 63, 43, and 13 mAh/g for C/5, C/3, and C/2, respectively for LiFePO 4 where as in case of C-LiFePO 4 that were 163, 144, 118, and 70 mAh/g for C/5, C/3, C/2, and 1C, respectively. The capacity retention of pure LiFePO 4 was 69% after 25 cycles where as that of C-LiFePO 4 was around 97% after 50 cycles. These results indicate that the capacity and the rate capability improved significantly upon carbon coating.