Authors (5): A. L. Gould, K. Rossi, C. R. A. .Catlow, F. Baletto, A. J. Logsdail
Themes: Design (2016)
DOI: 10.1021/acs.jpclett.6b02181
Citations: 18
Pub type: journal-article
Publisher: American Chemical Society (ACS)
Issue: 21
License: [{"start"=>{"date-parts"=>[[2016, 11, 11]], "date-time"=>"2016-11-11T00:00:00Z", "timestamp"=>1478822400000}, "content-version"=>"vor", "delay-in-days"=>16, "URL"=>"http://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html"}]
Publication date(s): 2016/11/03 (print) 2016/10/26 (online)
Pages: 4414-4419
Volume: 7 Issue: 21
Journal: The Journal of Physical Chemistry Letters
URL: http://dx.doi.org/10.1021/acs.jpclett.6b02181We present a study of the transitional pathways between high-symmetry 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 low-symmetry 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.
Name | Description | Publised |
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Supporting information for: Supporting Information: Controlling Structural Transitions in AuAg Nanoparticles Through Precise Compositional Design | Detailed structural analysis for the non-DSD transitions between CO and ... | 2016 |