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Nanocrystallites, Adsorption, Surface Tension, and Wulff Rule Full article

Journal Physical Review E
ISSN: 2470-0045 , E-ISSN: 2470-0053
Output data Year: 2021, Volume: 103, Number: 1, Article number : 012802, Pages count : 8 DOI: 10.1103/PhysRevE.103.012802
Tags MONTE-CARLO-SIMULATION; METAL NANOPARTICLES; KINETICS; SHAPES; CO
Authors Zhdanov Vladimir P. 1,2
Affiliations
1 Department of Physics, Chalmers University of Technology, Göteborg, Sweden
2 Boreskov Institute of Catalysis, Russian Academy of Sciences, Novosibirsk, Russia

Abstract: Chemisorption on the surface of metal nanocrystallites (NCs) sometimes induces their reshaping. This interesting phenomenon was observed experimentally in various systems. Related theoretical studies imply that it can be described using the Wulff rule with the surface tension dependent on the coverage of the NC facets by adsorbate. There is, however, no agreement as to how the surface tension should be calculated in this case. Relying on the laws of statistical physics, I clarify the situation in this area in general and also in the framework of the mean-field approximation in three situations: (i) with adsorption-desorption equilibrium, (ii) with a fixed amount of adsorbate at a NC, and (iii) with a fixed amount of adsorbate at facets of a NC. Under these conditions, the surface tension is shown to be described by the same expressions. © 2021 American Physical Society.
Cite: Zhdanov V.P.
Nanocrystallites, Adsorption, Surface Tension, and Wulff Rule
Physical Review E. 2021. V.103. N1. 012802 :1-8. DOI: 10.1103/PhysRevE.103.012802 WOS Scopus РИНЦ AN PMID OpenAlex
Dates:
Submitted: Nov 18, 2020
Accepted: Jan 6, 2021
Published print: Jan 19, 2021
Published online: Jan 19, 2021
Identifiers:
Web of science: WOS:000608619900016
Scopus: 2-s2.0-85099609385
Elibrary: 45000082
Chemical Abstracts: 2021:526443
PMID: 33601602
OpenAlex: W3125572859
Citing:
DB Citing
Scopus 3
Web of science 2
Elibrary 2
OpenAlex 1
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