Can any one suggest simple method to calculate cell voltage of Li ion battery cathode ?

05 May 2017 1 8K Report

I am studying cathode materials using computational tools, I have formation energy of crystal can anyone guide me to calculate the cell voltage of newly made material ?

Ralph Nicolai Nasara

Hi, the average intercalation voltage can be approximated from the difference of ground state energies as given by the equation below.

You can also access one of your papers as reference talking in more detail.

http://jes.ecsdl.org/content/161/3/A439.abstract

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