Growth mechanisms from tetrahedral seeds to multiply twinned Au nanoparticles revealed by atomistic simulations

Author:

El koraychy El yakout1,Roncaglia Cesare1ORCID,Nelli Diana1,Cerbelaud Manuella2ORCID,Ferrando Riccardo3ORCID

Affiliation:

1. Dipartimento di Fisica dell'Università di Genova, via Dodecaneso 33, Genova, 16146, Italy

2. Université de Limoges, CNRS, IRCER, UMR 7315, F-87000 Limoges, France

3. Dipartimento di Fisica dell'Università di Genova and CNR-IMEM, via Dodecaneso 33, Genova 16146, Italy

Abstract

Atomic level simulations supported by density-functional theory calculations identify the key mechanisms of the twinning process in gold tetrahedral nanoparticles, which is shown to originate from the growth kinetics of the pure, ligand-free metal.

Funder

Ministero dell’Istruzione, dell’Università e della Ricerca

Università degli Studi di Genova

Centre National de la Recherche Scientifique

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

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