| Re: Calculation of electrochemical potential of an electrode in contact with a liquid ( No.1 )|
- Date: 2020/10/21 17:09
- Name: T. Ozaki
>Should I add an extra vacuum layer and calculate the electrode potential with respect to the value of the potential inside the vacuum?
Yes, you should add the extra vaccum on the outside of the explicit solvent.
Then, you can follow the scheme explained at
>How can I be sure that if I add a charge to the system it is localized on the surface
>and not in the liquid? How to create a potential difference between the electrode and the electrolyte?
You can analyze the charge difference between the neutral and charged systems through the cube files.
| Re: Calculation of electrochemical potential of an electrode in contact with a liquid ( No.2 )|
- Date: 2020/10/22 15:51
- Name: Mauro Sgroi <firstname.lastname@example.org>
- Dear Prof. Ozaki,
thanks a lot.