Twin boundary migration in an individual platinum nanocrystal during catalytic CO oxidation

Jérôme Carnis, Aseem Rajan Kshirsagar, Longfei Wu, Maxime Dupraz, Stéphane Labat, Michaël Texier, Luc Favre, Lu Gao, Freddy E. Oropeza, Nimrod Gazit, Ehud Almog, Andrea Campos, Jean-Sébastien Micha, Emiel J. M. Hensen, Steven J. Leake, Tobias U. Schülli, Eugen Rabkin, Olivier Thomas, Roberta Poloni, Jan P. Hofmann and Marie-Ingrid Richard ()
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Jérôme Carnis: Aix Marseille Université, Université de Toulon, CNRS, IM2NP
Aseem Rajan Kshirsagar: Grenoble-INP, SIMaP, University of Grenoble-Alpes, CNRS
Longfei Wu: Aix Marseille Université, Université de Toulon, CNRS, IM2NP
Maxime Dupraz: Aix Marseille Université, Université de Toulon, CNRS, IM2NP
Stéphane Labat: Aix Marseille Université, Université de Toulon, CNRS, IM2NP
Michaël Texier: Aix Marseille Université, Université de Toulon, CNRS, IM2NP
Luc Favre: Aix Marseille Université, Université de Toulon, CNRS, IM2NP
Lu Gao: Eindhoven University of Technology
Freddy E. Oropeza: Eindhoven University of Technology
Nimrod Gazit: Technion-Israel Institute of Technology
Ehud Almog: Technion-Israel Institute of Technology
Andrea Campos: Aix Marseille Univ, CNRS, Centrale Marseille, FSCM (FR1739), CP2M
Jean-Sébastien Micha: CRG-IF BM32 beamline at the European Synchrotron (ESRF), CS40220
Emiel J. M. Hensen: Eindhoven University of Technology
Steven J. Leake: ID01/ESRF, The European Synchrotron
Tobias U. Schülli: ID01/ESRF, The European Synchrotron
Eugen Rabkin: Technion-Israel Institute of Technology
Olivier Thomas: Aix Marseille Université, Université de Toulon, CNRS, IM2NP
Roberta Poloni: Grenoble-INP, SIMaP, University of Grenoble-Alpes, CNRS
Jan P. Hofmann: Eindhoven University of Technology
Marie-Ingrid Richard: Aix Marseille Université, Université de Toulon, CNRS, IM2NP

Nature Communications, 2021, vol. 12, issue 1, 1-10

Abstract: Abstract At the nanoscale, elastic strain and crystal defects largely influence the properties and functionalities of materials. The ability to predict the structural evolution of catalytic nanocrystals during the reaction is of primary importance for catalyst design. However, to date, imaging and characterising the structure of defects inside a nanocrystal in three-dimensions and in situ during reaction has remained a challenge. We report here an unusual twin boundary migration process in a single platinum nanoparticle during CO oxidation using Bragg coherent diffraction imaging as the characterisation tool. Density functional theory calculations show that twin migration can be correlated with the relative change in the interfacial energies of the free surfaces exposed to CO. The x-ray technique also reveals particle reshaping during the reaction. In situ and non-invasive structural characterisation of defects during reaction opens new avenues for understanding defect behaviour in confined crystals and paves the way for strain and defect engineering.

Date: 2021
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DOI: 10.1038/s41467-021-25625-0

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