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Activation energy of electrolyte
Date: 2022/11/15 01:36
Name: Mehdi Vejdanihemmat   <>

Dear all,

Could you please give me a guidance about how to calculate activation energy of electrolyte ion hopping in cathode?

Best regards,
Mehdi Vejdanihemmat
Page: [1]

Re: Activation energy of electrolyte ( No.1 )
Date: 2022/12/02 15:29
Name: T. Ozaki


I wonder that a research,, may help you.
By performing a molecular dynamics (MD) simulation for an ion with a fixed z-coordinate and taking an avarage of total energy
over a long time, one can obtain a mean energy or mean force along the z-coordinate. A series of the MD simulations yield
the mean energy profile as a function of z-coordinate, resuling in the activation energy.


Re: Activation energy of electrolyte ( No.2 )
Date: 2022/12/21 06:18
Name: Mehdi Vejdanihemmat  <>

Dear Prof. Ozaki,

Thank you for your guidance.

Best wishes,
Mehdi Vejdanihemmat

Page: [1]