Journal of Electroanalytical Chemistry, Vol.450, No.2, 327-334, 1998
Computer simulation of the structure of the electrochemical double layer
We analyze and compare the structure of the electrochemical double layer obtained from molecular dynamics simulations of concentrated aqueous NaCl and CsF solutions near a model electrode. The electrode is modeled as a corrugated external potential in conjunction with the image charge model. Calculations are performed for uncharged electrodes and for electrodes carrying positive or negative surface charges.
Keywords:MOLECULAR-DYNAMICS SIMULATION;WATER PLATINUM INTERFACE;LIQUID VAPOR INTERFACE;IONIC HYDRATION;ADSORPTION;SURFACE;ASSOCIATION;SOLVATION;PT(111);IODIDE