DOI: 10.1063/1.2722751. Dynamics of low-coordinated surface atoms on gold nanocrystallites

Dynamics of low-coordinated surface atoms on gold nanocrystallites

10.1063/1.2722751

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The authors highlight the importance of transient configurations of atoms on the surface of nanocrystallites, and present methodologies for their investigation. A Monte Carlo method has been developed and is used to simulate the thermodynamic equilibrium of nanometer sized Au nanocrystallites, both free and supported on a MgO(100) surface. The authors find that appreciable numbers of atoms transiently occupy adatom positions on Au(111) facets, even at room temperature. This type of dynamically appearing site is usually neglected in relation to catalysis but may have a significant activity (for CO oxidation, for example). They also observe a complex solid-solid roughening transition which involves a variety of transient local atom configurations on the surface of nanocrystallites.

Bibliography

McKenna, K. P., Sushko, P. V., & Shluger, A. L. (2007). Dynamics of low-coordinated surface atoms on gold nanocrystallites. The Journal of Chemical Physics, 126(15).

Authors 3

K. P. McKenna (first)
P. V. Sushko (additional)
A. L. Shluger (additional)

References 45 Referenced 10

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Dates

Type	When
Created	18 years, 4 months ago (April 18, 2007, 6:24 p.m.)
Deposited	2 years ago (Aug. 1, 2023, 7:35 p.m.)
Indexed	3 weeks, 2 days ago (July 30, 2025, 6:49 a.m.)
Issued	18 years, 4 months ago (April 18, 2007)
Published	18 years, 4 months ago (April 18, 2007)
Published Online	18 years, 4 months ago (April 18, 2007)
Published Print	18 years, 4 months ago (April 21, 2007)

Funders 0

None

BibTeX

@article{McKenna_2007, title={Dynamics of low-coordinated surface atoms on gold nanocrystallites}, volume={126}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.2722751}, DOI={10.1063/1.2722751}, number={15}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={McKenna, K. P. and Sushko, P. V. and Shluger, A. L.}, year={2007}, month=apr }

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    "date-parts": [
      [
        2007,
        4,
        18
      ]
    ]
  },
  "article-number": "154704"
}