Title: Controlling Structural Transitions in AuAg Nanoparticles through Precise Compositional Design

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

Link: [{"URL"=>"http://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.6b02181", "content-type"=>"application/pdf", "content-version"=>"vor", "intended-application"=>"unspecified"}, {"URL"=>"https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.6b02181", "content-type"=>"unspecified", "content-version"=>"vor", "intended-application"=>"similarity-checking"}]

URL: http://dx.doi.org/10.1021/acs.jpclett.6b02181

We 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
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


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