Surface stress of gold nanoparticles revisited

David Holec, Lukas Löfler, Gerald Zickler, Dieter Vollath, Franz-Dieter Fischer

Publikation: Beitrag in FachzeitschriftArtikelForschungBegutachtung

Abstract

The surface energy has been one of the topics of atomistic research for nanoparticles in the last decades. However, the physical role of surface stress and its quantification have been a lot less an object of research. Assumptions for the surface stress, going back to the thermodynamic basis of continua, have been popular. As an example the surface stress (state) follows as derivatives of the surface energy with a rather “classical” evolution equation for the deformation energy. The current concept introduces a combination of atomistic modelling and continuum mechanics for a core–shell system. Considering crystalline and amorphous gold nanoparticles with radii in the range of 1 nm to 12 nm, we are finally able to independently calculate the values of surface stress and surface energy, both slightly decreasing with the increasing particle radius. Surprisingly large values of surface stress are predicted for the case of amorphous nanoparticles.

OriginalspracheEnglisch
Aufsatznummer111044
Seiten (von - bis)1-13
Seitenumfang13
FachzeitschriftInternational journal of solids and structures
Jahrgang224.2021
Ausgabenummer1 August
DOIs
PublikationsstatusVeröffentlicht - 1 Aug. 2021

Bibliographische Notiz

Funding Information:
F.D.F. and D.H. appreciate financial support by the Austrian Federal government (in particular from the Bundesministerium für Verkehr, Innovation and Technologie and the Bundesministerium für Wirtschaft und Arbeit) and the Styrian Provincial Government, represented by Österreichische Forschungsförderungsgesellschaft mbH and by Steirische Wirtschaftsförderungsgesellschaft mbH, within the research activities of the K2 Competence Centre on “Integrated Research in Materials, Processing and Product Engineering”, operated by the Materials Center Leoben Forschung GmbH in the framework of the Austrian COMET Competence Centre Programme, Projects A1.23 and A2.32.

Funding Information:
F.D.F. and D.H. appreciate financial support by the Austrian Federal government (in particular from the Bundesministerium f?r Verkehr, Innovation and Technologie and the Bundesministerium f?r Wirtschaft und Arbeit) and the Styrian Provincial Government, represented by ?sterreichische Forschungsf?rderungsgesellschaft mbH and by Steirische Wirtschaftsf?rderungsgesellschaft mbH, within the research activities of the K2 Competence Centre on ?Integrated Research in Materials, Processing and Product Engineering?, operated by the Materials Center Leoben Forschung GmbH in the framework of the Austrian COMET Competence Centre Programme, Projects A1.23 and A2.32.

Publisher Copyright:
© 2021 The Authors

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