Computer simulation of electron transfer processes across the electrode|electrolyte interface: a treatment of solvent and electrode polarizability
Author:
Publisher
Elsevier BV
Subject
Electrochemistry,General Chemical Engineering,Analytical Chemistry
Reference66 articles.
1. Calculation of solvent free energies for heterogeneous electron transfer at the water–metal interface: Classical versus quantum behavior
2. Electron Transfer Across the Electrode/Electrolyte Interface: Influence of Redox Ion Mobility and Counterions
3. Effects of Polarizability on the Hydration of the Chloride Ion
4. Solvent polarization and hydration of the chlorine anion
5. Energy component analysis for dilute aqueous solutions of lithium(1+), sodium(1+), fluoride(1-), and chloride(1-) ions
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1. Helmholtz Capacitance of Aqueous NaCl Solutions at the Au(100) Electrode from Polarizable and Nonpolarizable Molecular Dynamics Simulations;The Journal of Physical Chemistry C;2022-09-19
2. A polarizable molecular dynamics method for electrode–electrolyte interfacial electron transfer under the constant chemical-potential-difference condition on the electrode electrons;The Journal of Chemical Physics;2020-08-07
3. A chemical potential equalization approach to constant potential polarizable electrodes for electrochemical-cell simulations;The Journal of Chemical Physics;2019-10-28
4. Constant-potential molecular dynamics simulations on an electrode-electrolyte system: Calculation of static quantities and comparison of two polarizable metal electrode models;Chemical Physics Letters;2017-08
5. Electrical double layer effects on ion transfer reactions;Physical Chemistry Chemical Physics;2016
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