Gould, Anna L., Rossi, Kevin, Catlow, C. Richard A.  ORCID: https://orcid.org/0000-0002-1341-1541, Baletto, Francesca and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X
2016.
Controlling structural transitions in AuAg nanoparticles through precise compositional design.
Journal of Physical Chemistry Letters
7
(21)
, pp. 4414-4419.
10.1021/acs.jpclett.6b02181
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Abstract
We present a study of the transitional pathways between highsymmetry structural motifs for AgAu nanoparticles, with a specific focus on controlling the energetic barriers through chemical design. We show that the barriers can be altered by careful control of the elemental composition and chemical arrangement, with core@shell and vertex-decorated arrangements being specifically influential on the barrier heights. We also highlight the complexity of the potential and free energy landscapes for systems where there are low-symmetry geometric motifs that are energetically competitive to the high-symmetry arrangements. In particular, we highlight that some core@shell arrangements preferentially transition through multistep restructuring of lowsymmetry truncated octahedra and rosette-icosahedra, instead of via the more straightforward square-diamond transformations, due to lower energy barriers and competitive energetic minima. Our results have promising implications for the continuing efforts in bespoke nanoparticle design for catalytic and plasmonic applications.
| Item Type: | Article |
|---|---|
| Date Type: | Publication |
| Status: | Published |
| Schools: | Professional Services > Advanced Research Computing @ Cardiff (ARCCA) Schools > Chemistry Research Institutes & Centres > Cardiff Catalysis Institute (CCI) |
| Subjects: | Q Science > QD Chemistry |
| Publisher: | American Chemical Society |
| ISSN: | 1948-7185 |
| Date of First Compliant Deposit: | 11 November 2016 |
| Date of Acceptance: | 19 October 2016 |
| Last Modified: | 05 May 2023 02:18 |
| URI: | https://orca.cardiff.ac.uk/id/eprint/95675 |
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