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Adatom/vacancy interactions and interlayer mass transport in small two-dimensional Pt clusters on Pt(1 1 1)
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.ORCID iD: 0000-0002-2837-3656
2003 (English)In: Surface Science, ISSN 0039-6028, E-ISSN 1879-2758, Vol. 539, no 1-3Article in journal (Refereed) Published
Abstract [en]

We use embedded-atom molecular dynamics simulations to follow the dynamics of adatoms, vacancies, and adatom/vacancy pairs on two-dimensional hexagonal Pt19 clusters on Pt(1 1 1) surfaces at 1000 K. All configurations are found to be quite stable and have essentially the same migration mobilities as compact hexagonal clusters. However, the presence of a single vacancy dramatically decreases the lifetime of an adatom on the cluster by a factor of three. This occurs primarily through an enhancement of the rate of push-out/exchange reactions at the outer cluster edge resulting from vacancy-induced softening of edge atom bonds. Overall, adatoms in the presence of vacancies descend to the terrace via vacancy filling 10% of the time, and through reactions with outer cluster edges the remaining 90%. Direct vacancy filling mechanisms are analogous to, and have similar activation energies with, those at outer cluster edges: adatom hopping over descending steps and push-out/exchange reactions. © 2003 Elsevier B.V. All rights reserved.

Place, publisher, year, edition, pages
2003. Vol. 539, no 1-3
Keyword [en]
Adatoms, Clusters, Growth, Molecular dynamics, Nucleation, Platinum
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:liu:diva-46531DOI: 10.1016/S0039-6028(03)00831-8OAI: oai:DiVA.org:liu-46531DiVA: diva2:267427
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2017-12-13

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Münger, PeterChirita, ValeriuHultman, Lars

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