Model Based Analysis of One-Dimensional Oriented Lithium-Ion Battery Electrodes

Abstract

Oriented one-dimensional nanostructures have been of substantial interest as electrodes for lithium-ion batteries due to the better performance both in terms of initial capacity and lower capacity fade compared to powder pressed electrodes. This paper focuses on a model driven approach to understanding the relationship between the morphology of these oriented nanostructures to the performance of the battery. The Newman-type P2D modeling technique is applied to a porous electrode made up with solid continuous cylinders that extends from the current collectors to separator. TiO 2 columnar nanostructures of varying heights were synthesized using the aerosol chemical vapor deposition (ACVD) and their performance as electrodes in a lithium-ion battery was measured. This electrochemical transport model was validated with the experimental data. This model was used to understand the role of transport parameters, including the diffusivity of lithium in the TiO 2 and the electronic conductivity of the TiO 2 columns, and structural parameters, including the height of the columns and the porosity of the electrode, on the areal capacity of a lithium ion battery at different rates of discharge. The model enables for the prediction of optimized structural parameters of one-dimensional electrodes tailored to the desired application of lithium and sodium-ion batteries. Lithium-ion batteries (LiBs) have emerged as the dominant power source for most electronic applications today, as well as the most suitable candidates for electric vehicles and hybrid electric vehicles. The diverse range of applications for which LIBs are used demand both high energy densities and high power densities, although they are inversely related.1 Several research approaches have been adopted for increasing both the energy density and the power density of lithium ion batteries, and controlling the nanostructure of the electrode material has been one such widely adopted approach. One-dimensional (1D) nanostructures in particular have received considerable attention for both cathode and anode materials 3-5 due to the several advantages provided by the 1D nanostructures, which can enhance both the energy and the power density of the battery. These advantages include (1) the efficient electron transport pathway provided by the nanostructure, 6 (2) shorter ion diffusion path owing to the less tortuous path and the larger surface to volume ratio, 7 and (3) better strain relaxation due to the accommodation space in between the nanostructures.8 Recent research has focused on the direct growth of the 1D nanostructures on the current collector to obtain oriented nanostructures which further provide improved performance due to the direct attachment of each 1D nanostructure to the current collector ensuring their participation in the electrochemical reaction and obviating the need for any binding agent. Different applications of LiBs demand the optimization of their energy density and power density. While nanostructuring aims to maximize both the densities, further ...

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