Entropic Barriers Determine Adiabatic Electron Transfer Equilibrium

2019 ◽  
Vol 123 (6) ◽  
pp. 3416-3425 ◽  
Author(s):  
Eric J. Piechota ◽  
Renato N. Sampaio ◽  
Ludovic Troian-Gautier ◽  
Andrew B. Maurer ◽  
Curtis P. Berlinguette ◽  
...  
Author(s):  
Sergey Kislenko ◽  
Sergey Pavlov ◽  
Renat Nazmutdinov ◽  
Vitaliy Kislenko ◽  
Petr Chekushkin

The effect of the gold underlayer on the outer-sphere non-adiabatic electron transfer on the graphene surface is investigated theoretically using both periodic and cluster DFT calculations. We propose the model...


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