Actually, I am trying to work on the anode part of the Li-ion battery. I am new in this field, and I have a few questions that I want to ask. Please tell me how to calculate the theoretical capacity. A general formula used in this regard is as follows: Theoretical capacity = nF/M, Is this equation used for determining the value of "n"? In our point of view, the value of n is determined after a detailed study (by DFT) and hence could be termed the calculated theoretical capacity, while the predicted this may be the calculated theoretical capacity, and the estimated or predicted theoretical capacity should be determined before the detail study (through DFT). How to write this type of equation (LiFePO4 → FePO4 + 1Li+ + 1e-) for any material? Is material layered when choosing cathode material in LIB?