Some of the basic concepts underlying electrochemical cell/battery designs are reviewed. A developed mathematical formulation is used to predict the transient dimensionless lithium concentration profiles and the transient current density and specific charge storage capacity of an active material of a cell cathode, such as copper phthalocyanine. Theoretical computational chemistry results, using Gaussian 16 software, are provided on the structure/composition of the copper phthalocyanine active material. Experimental results show the primary discharge capacity of lithium-based copper phthalocyanine coin cells at room temperature of approximately 840 mAh per gram of active material. This primary discharge capacity is more than a factor of four higher than the secondary or rechargeable capacity of commercially available lithium-ion battery cathode materials.
batteries, lithium, transient model, computational chemistry, diffusion-limited, primary, secondary
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