The Decmon: A new nanoparticle shape along the truncation path from the icosahedron to the decahedron

Juan Pedro Palomares-Báez, Juan Martín Montejano-Carrizales, Grégory Guisbiers, Miguel José-Yacamán, José Luis Rodríguez-López

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

The idea that shape and structure determines functionality is one of the leiv-motifs that drives research and applications on fields such as catalysis and plasmonics. The growth and stability of metallic clusters is extensively discussed through faceting and energy minimization mechanisms, respectively. Facet truncations on the regular Mackay-icosahedron (m-Ih) give rise to two sub-families exhibiting five-fold symmetry and external decahedral shape. Such successive truncations made to the regular m-Ih, led to a decahedral motif called 'Decmon' (Montejano's decahedron). This structure expose facets (111) and (100), that after a total energy minimization through molecular dynamics simulations using the embedded atom model, proved to be thermally stable. This result has been confirmed by using nano-thermodynamics. The surface energy competition between the (111) and (100) facets explains its stability at some given cluster sizes, and this truncation path permits to glimpse the potential energy surface in the growth path of nanoparticles from the decahedral (s-Dh) to icosahedral (m-Ih) structures.

Original languageEnglish (US)
Article number425701
JournalNanotechnology
Volume30
Issue number42
DOIs
StatePublished - Aug 9 2019
Externally publishedYes

Keywords

  • five-fold symmetry
  • growth and shape mechanisms
  • nano-thermodynamics
  • surface reconstructions

ASJC Scopus subject areas

  • Bioengineering
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering
  • Electrical and Electronic Engineering

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