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Updated: Sep 9, 2026

A Continuous-flow Photocatalytic Reactor for the Precisely Controlled Deposition of Metallic Nanoparticles
Published on: April 10, 2019
TiO2-facet-dependent reconstruction of Pt nanoparticles during CO oxidation
Jihun Kim1, Yunkyung Kim2, Daewon Oh1
1School of Energy and Chemical Engineering, Ulsan National Institute of Science and Technology (UNIST), Ulsan, Republic of Korea.
Abstract:
Facet engineering of reducible oxide supports is a powerful strategy for tuning metal-support interactions. We show that this facet dependence extends beyond intrinsic support properties to govern the initial morphology and reaction-induced restructuring behaviour of supported Pt nanoparticles during CO oxidation. For ~1.8 nm Pt nanoparticles on anatase TiO2, microscopy and spectroscopy show that the (001) facet stabilises a wetted Pt structure with expanded interfacial contact, whereas the (101) facet favours compact cuboctahedral nanoparticles with limited interface. Genetic algorithm and graph neural network-based simulations reproduce these facet-dependent structures and support distinct restructuring under CO oxidation. DFT calculations support facile oxygen activation on the (001) facet throughout the MvK pathway, while reaction-order analysis and catalytic cycle tests indicate that the reaction-evolved Pt-TiO2(001) interface synergistically couples with oxygen vacancies to enable efficient oxygen replenishment, further lowering the activation barrier by ~25% after the initial run. This work identifies support facets as regulators of dynamic metal-support interfaces governing catalytic performance.
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