Modeling and Experimental Investigations of Lithium-Copper Phthalocyanine Based Cells/Batteries

February 22, 2019


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


Rubin, E.S. (2001), Introduction to Engineering and the Environment, Chapter 4, p.128, McGraw-Hill Companies, Inc., New York, NY 10020.

Prentice, G. (1991), Electrochemical Engineering Principles, p.271, Prentice-Hall Inc.

Sandhu, S.S., Fellner, J.P. (2015), J. Chem. Eng. Process Technol., 6, 257

Sandhu, S.S., Fellner, J.P., Tzao, M., Cashion, C.J. (2017), International Journal of Engineering Technology Management and Applied Sciences (IJETAS), 5 , 24.

Sandhu, S.S., Fellner, J.P., Dudi, S.P. (2017), Current Topics in Electrochemistry, 19, 91.

Froment, G.F., Bischoff, K.B., Wilde, J. De. (2011) Chemical Reactor Analysis and Design (3rd Edition). John Wiley & Sons, Inc. pp. 64 – 75, 173.

Bird, R.B., Stewart, W.E, Lightfoot, E.N. (2007), Transport Phenomena (revised second edition), John Wiley & Sons, Chapters 18 and 19.

Sandhu, S.S. (2018), The U.S. Air Force 2018 SFFP (Summer Faculty Fellowship Program) Technical Report, Air Force Research Laboratory Publication number (to be assigned), Wright – Patterson Air Force Base, OH 45433.

Author Details

Sarwan S. Sandhu

Clayton J. Cashion

Joseph P. Fellner