The transformation mechanisms among cuboctahedra, Ino's decahedra and icosahedra structures of magic-size gold nanoclusters.

Ehsan Rahmatizad Khajehpasha, Mohammad Ismaeil Safa, Nasrin Eyvazi, Marco Krummenacher, Stefan Goedecker

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Article in Nanoscale advances, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 authors.

Ehsan Rahmatizad KhajehpashaDepartment of Physics, University of Basel Klingelbergstrasse 82 4056 Basel Switzerland stefan.goedecker@unibas.ch.ORCID https://orcid.org/0000-0001-7180-8638

Mohammad Ismaeil SafaDepartment of Physics, University of Basel Klingelbergstrasse 82 4056 Basel Switzerland stefan.goedecker@unibas.ch.ORCID https://orcid.org/0009-0002-4088-3007

Nasrin EyvaziDepartment of Physics, University of Basel Klingelbergstrasse 82 4056 Basel Switzerland stefan.goedecker@unibas.ch.ORCID https://orcid.org/0000-0002-8863-5830

Marco KrummenacherDepartment of Physics, University of Basel Klingelbergstrasse 82 4056 Basel Switzerland stefan.goedecker@unibas.ch.ORCID https://orcid.org/0009-0006-3364-3450

Stefan GoedeckerDepartment of Physics, University of Basel Klingelbergstrasse 82 4056 Basel Switzerland stefan.goedecker@unibas.ch.ORCID https://orcid.org/0000-0002-3580-4186

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Gold nanoclusters possess multiple competing structural motifs with small energy differences, enabling structural coexistence and interconversion. Using a high-accuracy machine learned potential trained on some 20 000 density functional theory reference data points, we investigate transformation pathways connecting both high-symmetry and distorted cuboctahedra, Ino's decahedra and icosahedra for Au

Identifiers

PMID42165042

DOI10.1039/d6na00012f

PMCPMC13185000

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