Interdependence of structure and chemical order in high symmetry (PdAu)N nanoclusters

In this work we study the stabilities of high-symmetry AuN, PdN and N clusters, for N < 1500, using mathematical constructs, a semi-empirical potential with two different parameter sets, and a quasi-Newtonian minimisation technique

Andrew J. Logsdail

2012

Scholarcy highlights

  • In this work we study the stabilities of high-symmetry AuN, PdN andN clusters, for N < 1500, using mathematical constructs, a semi-empirical potential with two different parameter sets, and a quasi-Newtonian minimisation technique
  • For PdN clusters, both parameter sets tested result in preferences for icosahedral structures for N < 1000 over other high-symmetry 12-vertex geometries; for AuN clusters we find a tendency towards face-centred cubic structures at values of N lower than seen for PdN: parameter set I of Cleri and Rosato [Cleri and Rosato, Phys
  • Reproduced material should be attributed as follows: For reproduction of material from NJC: - Reproduced by permission of The Royal Society of Chemistry on behalf of the Centre National de la Recherche Scientifique and the RSC
  • For reproduction of material from PPS: - Reproduced by permission of The Royal Society of Chemistry on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC
  • For reproduction of material from all other RSC journals: - Reproduced by permission of The Royal Society of Chemistry

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