How can we calculate quantum capacitance as a functional of local electrode potential and stored charge on 2D materials by DFT calculations? Please post your answers including the procedure of calculation of capacitance properties of super-capacitor from DFT outputs by utilizing capacitance equations.
Thank you.
Respected Muhammad Ali please read this for understanding
http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.5b05930
Dear Dalia,
Please find the attached files. Unfortunately, I have no experiences with such calculations.
http://www.sciencedirect.com/science/article/pii/S0375960116305217
http://pubs.rsc.org/En/content/articlepdf/2015/cp/c4cp06015f
http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.5b07943?journalCode=jpccck
http://pubs.acs.org/doi/abs/10.1021/jp512176r
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