The effect of chemical ordering and lattice mismatch on structural transitions in phase segregating nanoalloys

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Abstract

We elucidate the effect of lattice mismatch and chemical ordering on structural transitions in bimetallic nanoalloys of ∼1.5 nm. We show that collective screw dislocation motions happen in small mismatch shell@core systems while strongly mismatched ones favour incomplete outer shell rearrangements. Cooperative transitions can also become hindered when the chemical ordering breaks the geometrical symmetry. Escaping from an unfavourable morphological basin occurs first via re-arrangements of the geometry and then changes towards a better chemical pattern. We observe that the chemical re-ordering mechanisms are independent of system composition and stoichiometry but hinge on the initial and final chemical arrangements.
Original languageEnglish
Pages (from-to)11057-11063
Number of pages7
JournalPhysical Chemistry Chemical Physics
Volume19
Issue number18
Early online date3 Apr 2017
DOIs
Publication statusPublished - 10 May 2017

Keywords

  • structural transition
  • chemical reordering
  • nanoclusters
  • nanoalloys

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