多孔性
电极
材料科学
欧姆接触
优化设计
电化学
复合材料
计算机科学
化学
机器学习
物理化学
图层(电子)
作者
Venkatasailanathan Ramadesigan,Ravi Methekar,Folarin Latinwo,Richard D. Braatz,Venkat R. Subramanian
摘要
This paper considers the design of spatially varying porosity profiles in next-generation electrodes based on simultaneous optimization of a porous-electrode model. Model-based optimal design (not including the solid-phase intercalation mechanism) is applied to a porous positive electrode made of lithium cobalt oxide, which is commonly used in lithium-ion batteries for various applications. For a fixed amount of active material, optimal grading of the porosity across the electrode was found to decrease the ohmic resistance by 15%–33%, which in turn increases the electrode capacity to hold and deliver energy. The optimal porosity grading was predicted to have 40% lower variation in the ohmic resistance to variations in model parameters due to manufacturing imprecision or capacity fade. The results suggest that the potential for the simultaneous model-based design of electrode material properties that employ more detailed physics-based first-principles electrochemical engineering models to determine optimal design values for manufacture and experimental evaluation.
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