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Article Dans Une Revue Journal of Chemical Physics Année : 2004

Relaxation of the electrical double layer after an electron transfer approached by Brownian dynamics simulation

Résumé

In this paper, the dynamical properties of the electrochemical double layer following an electron transfer are investigated by using Brownian dynamics simulations. This work is motivated by recent developments in ultrafast cyclic voltammetry which allow nanosecond time scales to be reached. A simple model of an electrochemical cell is developed by considering a 1:1 supporting electrolyte between two parallel walls carrying opposite surface charges, representing the electrodes; the solution also contains two neutral solutes representing the electroactive species. Equilibrium Brownian dynamics simulations of this system are performed. To mimic electron transfer processes at the electrode, the charge of the electroactive species are suddenly changed, and the subsequent relaxation of the surrounding ionic atmosphere are followed, using nonequilibrium Brownian dynamics. The electrostatic potential created in the center of the electroactive species by other ions is found to have an exponential decay which allows the evaluation of a characteristic relaxation time. The influence of the surface charge and of the electrolyte concentration on this time is discussed, for several conditions that mirror the ones of classical electrochemical experiments. [...]
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Dates et versions

hal-00143456 , version 1 (25-04-2007)

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F. Grün, Marie Jardat, P. Turq, Christian Amatore. Relaxation of the electrical double layer after an electron transfer approached by Brownian dynamics simulation. Journal of Chemical Physics, 2004, 120 (20), pp.9648. ⟨10.1063/1.1718201⟩. ⟨hal-00143456⟩
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