Simulating an electrochemical interface using charge dynamics

We present a simple classical method for treating charge mobility in metals adjacent to liquid solutions. The method, known as electrode charge dynamics, effectively bridges the computational gap between ab initio calculations on small metal clusters and large-scale simulations of metal surfaces wit...

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Bibliographic Details

Published in:	Condensed Matter Physics
Main Authors:	C.G.Guymon, R.L.Rowley, J.N.Harb, D.R.Wheeler
Format:	Article
Language:	English
Published:	Yukhnovskii Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine 2005-01-01
Subjects:	simulation double layer molecular dynamics ab initio potentials copper (111) surface water
Online Access:	http://dx.doi.org/10.5488/CMP.8.2.335