Regensburg 2019 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 75: Fundamentals of Catalysis I

O 75.2: Vortrag

Donnerstag, 4. April 2019, 10:45–11:00, H5

CO-assisted stabilisation of single-atom Pt on ceria — •Nathan Daelman, Marçal Capdevila-Cortada, and Núria López — Institute of Chemical Research of Catalonia, Tarragona, Spain

Single-atom Pt on ceria has been proposed as a potential car exhaust catalyst that can achieve the DOE <150^∘ challenge set forth by the EU.[1] Our work focuses on the system’s applications in CO oxidation. The relevance of this reaction is far-reaching, since it is widely employed for single-atom detection. Nonetheless, its reactivity compared to nanoparticles is still under debate.[2,3]

We have identified a novel anchoring site for dispersed Pt atoms which yields a meta-stable catalyst on the oxygen-terminated (100) surfaces. Carbon monoxide stabilizes the single-atom site upon adsorption. Under oxygen-rich conditions O₂ then integrates into the lattice. From there on, the system converts through a percarbonate transition state to CO₂ gas. One oxygen anion remains in the lattice, effectively reducing the surface.

We acknowledge funding from the Spanish Ministry of Economy, Industry and Competitivity (ref.num.: CTQ2015-68770-R). We also wish to thank ICIQ, MareNostrum and BIFI for supplying us with access to their computing facilities.

[1] Betz, B., Müller, E., et al., 3rd Fundamentals and applications of Cerium Dioxide in catalysis, 2018, OP-2.1.

[2] Jones, J., Xiong, H., et al., Science, 2016, 353, 150-154.

[3] Ding, K., Gulec, A., et al., Science, 2015, 350, 189-192.