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Embedded Atom Model of Surface Stress and Early Film Growth in Electrodeposition: Ag/Au(111)

Published online by Cambridge University Press:  10 February 2011

Michael I. Haftel ,
Nervine Rosen  and
Sean G. Corcoran
Michael I. Haftel
Affiliation:
Naval Research Laboratory, Washington, DC. 20375–5345
Nervine Rosen
Affiliation:
Naval Research Laboratory, Washington, DC. 20375–5345
Sean G. Corcoran
Affiliation:
Naval Research Laboratory, Washington, DC. 20375–5345
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Abstract

We develop an embedded-atom-model (EAM) for simulations of metallic film growth under electrodeposition. The surface charge induced by the electric field is handled as an addition to the electron density to be used in the EAM. Parameters relating the shift in electron density to the electrolytic potential are calibrated to measurements of the capacitance and of surface stress versus potential for Au. For Ag the calibration is to capacitance and local density approximation calculations of surface energy. The resulting parameters are physically realistic for the experiments performed. The model is then applied to calculating migration and step edge barriers for Ag electrodeposited on Au (111) as an explanation of the observed Stranski-Krastanov growth.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 451: Symposium P – Electrochemical Synthesis and Modification , 1996 , 31
Copyright
Copyright © Materials Research Society 1997

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References

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