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Size and Shape Dependence of the Electronic Structure of Gold Nanoclusters on TiO2

Yim, C-M; Lamoureux, PS; Mellor, A; Pang, CL; Idriss, H; Pacchioni, G; Thornton, G; (2021) Size and Shape Dependence of the Electronic Structure of Gold Nanoclusters on TiO2. The Journal of Physical Chemistry Letters , 12 (34) pp. 8363-8369. 10.1021/acs.jpclett.1c02167.

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Abstract

Understanding the mechanism behind the superior catalytic power of single- or few-atom heterogeneous catalysts has become an important topic in surface chemistry. This is particularly the case for gold, with TiO2 being an efficient support. Here we use scanning tunneling microscopy/spectroscopy with theoretical calculations to investigate the adsorption geometry and local electronic structure of several-atom Au clusters on rutile TiO2(110), with the clusters fabricated by controlled manipulation of single atoms. Our study confirms that Au1 and Au2 clusters prefer adsorption at surface O vacancies. Au3 clusters adsorb at O vacancies in a linear-chain configuration parallel to the surface; in the absence of O vacancies they adsorb at Ti5c sites with a structure of a vertically pointing upright triangle. We find that both the electronic structure and cluster–substrate charge transfer depend critically on the cluster size, bonding configuration, and local environment. This suggests the possibility of engineering cluster selectivity for specific catalytic reactions.

Type: Article
Title: Size and Shape Dependence of the Electronic Structure of Gold Nanoclusters on TiO2
DOI: 10.1021/acs.jpclett.1c02167
Publisher version: https://doi.org/10.1021/acs.jpclett.1c02167
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher's terms and conditions.
UCL classification: UCL
UCL > Provost and Vice Provost Offices
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/10134305
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