Science and Technology Production
Kinetic Monte Carlo Study of Electrochemical Growth in a Heteroepitaxial System

Article

Authorship
María C. Giménez ; Mario G. Del Pópolo ; Ezequiel P. M. Leiva
Date
2002
Publishing House and Editing Place
American Chemical Society
Magazine
LANGMUIR, vol. 18 (pp. 9087-9094) American Chemical Society
Summary Information provided by the agent in SIGEVA
Structural and kinetic aspects of 2-D irreversible metal deposition under potentiostatic conditions are analyzed by means of dynamic Monte Carlo simulations employing embedded atom potentials for a model system. Three limiting models, all considering adatom diffusion, were employed to describe adatom deposition.The first model (A) considers adatom deposition on any free substrate site on the surface at the same rate. The second model (B) considers adatom deposition only on substrate sites which... Structural and kinetic aspects of 2-D irreversible metal deposition under potentiostatic conditions are analyzed by means of dynamic Monte Carlo simulations employing embedded atom potentials for a model system. Three limiting models, all considering adatom diffusion, were employed to describe adatom deposition.The first model (A) considers adatom deposition on any free substrate site on the surface at the same rate. The second model (B) considers adatom deposition only on substrate sites which exhibit no neighboring sites occupied by adatoms. The third model (C) allows deposition at higher rates on sites presenting neighboring sites occupied by adatoms. Under the proper conditions, the coverage (q) versus time (t) relationship for the three cases can be heuristically fitted to the functional form q = 1 - exp(-bta), where a and b are parameters.We suggest that the value of the parameter a can be employed to distinguish experimentally between the three cases. While model A trivially delivers a=1, models B and C are characterized by a < 1 and a > 1, respectively.
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Key Words
Kinetic Monte CarloHeteroepitaxialElectrochemical growth