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Atomistic modeling of Ru nanocluster formation on graphene/Ru(0001): Thermodynamically versus kinetically directed-assembly

Published online by Cambridge University Press:  07 February 2013

Y. Han ,
A. K. Engstfeld ,
C.-Z. Wang ,
L. D. Roelofs ,
R. J. Behm  and
J. W. Evans
Y. Han
Affiliation:
Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA
A. K. Engstfeld
Affiliation:
Institute of Surface Chemistry and Catalysis, Ulm University, D-89069, Ulm, Germany
C.-Z. Wang
Affiliation:
Ames Laboratory—USDOE, Iowa State University, Ames, Iowa 50011, USA
L. D. Roelofs
Affiliation:
Colgate University, Hamilton, New York, 13346, USA
R. J. Behm
Affiliation:
Institute of Surface Chemistry and Catalysis, Ulm University, D-89069, Ulm, Germany
J. W. Evans
Affiliation:
Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA Ames Laboratory—USDOE, Iowa State University, Ames, Iowa 50011, USA
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Abstract

Atomistic lattice-gas models for thermodynamically and kinetically directed assembly are applied to Ru nanocluster formation on a monolayer of graphene supported on Ru(0001) at 309 K. Nanocluster density, mean size, height distribution, and spatial ordering are analyzed by kinetic Monte Carlo simulations. Both models can reproduce the experimental data, but additional density functional theory analysis favors the former.

Keywords

cluster assemblynucleation & growthscanning tunneling microscopy (STM)

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References

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