Hello everyone
I have pw.x outputs for different intermediates in ORR reaction (OOH dissociation mechanism). I would like to see the effect of electrode potential on reaction free energy. I have gone through several articles to understand this calculation, but i didn't get it.
I would highly appreciate it, if someone can explain free energy change calculations of any steps in this reaction, based on any previous reports.
Thanks in advance
Regards,
Chethan