How to simulate the electron transfer during OER with AIMD?
Posted by Jack, at mattermodeling.stackexchange.com,
I am trying to simulate the electron transfer from adsorbed H2O molecule to the electrode with AIMD. I guess I need to set up…
Using Implicit Solvent in Ab Initio Electrochemical Modeling: Investigating Li+/Li Electrochemistry at a Li/Solvent Interface
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