(194b) Characterization of Phthalocyanine-Based Materials for Lithium-Ion Batteries

The developed thermodynamic functions for the determination of Gibbs free energy, enthalpy, and entropy of formation of solid lithium-iron (II) phthalocyanine (Li_xFePc) from solid lithium and iron (II) phthalocyanine (Fe(II)Pc) as a function of x (= g-moles of the inserted lithium per g-mole of Fe(II)Pc) at a fixed temperature are presented. In addition, this paper includes i) a proposed expression for the evaluation of lithium diffusion coefficient in solid FePc as a function of both x and temperature, ii) a relatively simple procedure to estimate the theoretical lithium storage capacity of the cathode active material, Fe(II)Pc, and iii) the experimental results from the ongoing research/development work on the lithium/iron phthalocyanine cell.