Simulating an electrochemical interface using charge dynamics

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
Main Authors: C.G.Guymon, R.L.Rowley, J.N.Harb, D.R.Wheeler
Format: Article
Language:English
Published: Institute for Condensed Matter Physics 2005-01-01
Series:Condensed Matter Physics
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

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