Gould, AL;
Rossi, K;
Catlow, CRA;
Baletto, F;
Logsdail, AJ;
(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 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.
| Type: | Article |
|---|---|
| Title: | Controlling Structural Transitions in AuAg Nanoparticles through Precise Compositional Design |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1021/acs.jpclett.6b02181 |
| Publisher version: | http://dx.doi.org/10.1021/acs.jpclett.6b02181 |
| Language: | English |
| Additional information: | This is an open access article published under a Creative Commons Attribution (CC-BY) License, which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited. |
| Keywords: | Science & Technology, Physical Sciences, Technology, Chemistry, Physical, Nanoscience & Nanotechnology, Materials Science, Multidisciplinary, Physics, Atomic, Molecular & Chemical, Chemistry, Science & Technology - Other Topics, Materials Science, Physics, NANOCLUSTERS, SIZE, NANOALLOYS, OXIDATION, CLUSTERS, MOTIFS, STABILITY, CATALYSTS, ATOM |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/1542203 |
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