Happy New Year to all of you. I see the Interface Reactions app on the Materials Project and feel it is a really excellent app for interface reactions on solid-state electrolytes and cathode materials. I have some questions regarding this. I would appreciate it if someone could answer the following questions:
Is the electrochemical stability voltage window of cathode materials identical to the average intercalation voltage for the cathode materials (Ceder et al., Phys. Rev. B: Condens. Matter Mater. Phys., 1997, 56, 1354)? Are they connected to each other?
How to choose an element reservoir? The addition of an elemental reservoir implies the construction of a so-called grand potential phase diagram.
Thank you @buithitham. I ran the code and got output. Did you consider an oxygen reservoir as open? Also, how to chose mu? In addition, do you have any idea how to calculate electrochemical stability window of solid electrolytes?