Size-selective reactivity of subnanometer Ag4 and Ag16 clusters on a TiO2 surface

Chen, Po-Tuan; Tyo, Eric C.; Hayashi, Michitoshi; Pellin, Michael J.; Safonova, Olga; Nachtegaal, Maarten; van Bokhoven, Jeroen A.; Vajda, Stefan; Zapol, Peter

doi:10.1021/acs.jpcc.6b11375

Title: Size-selective reactivity of subnanometer Ag₄ and Ag₁₆ clusters on a TiO₂ surface

Journal Article · Wed Mar 08 00:00:00 EST 2017 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.6b11375· OSTI ID:1352919

Chen, Po-Tuan ^[1]; Tyo, Eric C. ^[2]; Hayashi, Michitoshi ^[3]; Pellin, Michael J. ^[4]; Safonova, Olga ^[5]; Nachtegaal, Maarten ^[5];

^[6];

^[4];

^[4]

Argonne National Lab. (ANL), Argonne, IL (United States); National Taiwan Univ., Taipei (Taiwan)
Argonne National Lab. (ANL), Argonne, IL (United States); ETH Zurich, Zurich (Switzerland)
National Taiwan Univ., Taipei (Taiwan)
Argonne National Lab. (ANL), Argonne, IL (United States)
Paul Scherrer Inst. (PSI), Villigen (Switzerland)
Paul Scherrer Inst. (PSI), Villigen (Switzerland); ETH Zurich, Zurich (Switzerland)

Size-selected Ag₄ and Ag₁₆ clusters on a titania surface have been studied for their potential in CO oxidation using theoretical calculations and X-ray absorption near edge spectroscopy. The first peak at the measured Ag K-edge of Ag₁₆@TiO₂ is more prominent in air than in carbon monoxide environment, but no variation was found between the spectra of Ag₄@TiO₂ in air and in carbon monoxide environments. Density functional theory calculations show a preference for molecular oxygen adsorption for Ag₄@TiO₂ and that for a dissociative one on Ag₁₆@TiO₂, while carbon monoxide reactions with adsorbed oxygen reduced the Ag₁₆@TiO₂ cluster. The dissociated oxygen atoms increased the oxidation state of Ag₁₆ cluster and resulted in the prominent first peak in Ag K-edge spectrum in quasi-particle theory calculations, with the subsequent carbon monoxide oxidation reversing the character of Ag K-edge spectrum associated with the reduction of the cluster. Finally, the results provide insight into the size selectivity of supported subnanometer silver clusters in their interactions with oxygen and carbon monoxide, with implications on the cluster catalytic properties in oxidative reactions.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1352919

Journal Information:: Journal of Physical Chemistry. C, Vol. 121, Issue 12; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 16 works

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Title: Size-selective reactivity of subnanometer Ag4 and Ag16 clusters on a TiO2 surface

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Title: Size-selective reactivity of subnanometer Ag₄ and Ag₁₆ clusters on a TiO₂ surface