The complex behavior of the Pd 7 cluster supported on TiO 2 (110) during CO oxidation: adsorbate-driven promoting effect

An, Wei; Liu, Ping

doi:10.1039/c6cp04734c

Title: The complex behavior of the Pd ₇ cluster supported on TiO ₂ (110) during CO oxidation: adsorbate-driven promoting effect

Journal Article · Wed Sep 07 00:00:00 EDT 2016 · Physical Chemistry Chemical Physics. PCCP

DOI:https://doi.org/10.1039/c6cp04734c· OSTI ID:1342650

An, Wei ^[1]; Liu, Ping ^[2]

Shanghai Univ. of Engineering Science (China). College of Chemistry and Chemical Engineering
Brookhaven National Lab. (BNL), Upton, NY (United States). Chemistry Dept.

When using the TiO₂(110)-supported Pd7 cluster as a model catalyst, we identified the dynamics of supported metal nanoparticles using density functional theory calculations, at the sub-nanometer scale and under reactive environments. Increasing the CO coverage can induce a structural transformation from Pd₇-3D/TiO₂(110) at low coverage to Pd₇-2D/TiO₂(110) at the saturation coverage wherein CO saturation-driven Pd7-2D/TiO₂(110) structure displays superior CO oxidation activity at the interfacial sites, which are highly active for catalyzing O₂ dissociation and CO oxidation via bifunctional synergy.

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Research Organization:: Brookhaven National Lab. (BNL), Upton, NY (United States)

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

Grant/Contract Number:: SC00112704; AC02-05CH11231

OSTI ID:: 1342650

Report Number(s):: BNL-113486-2017-JA; PPCPFQ; R&D Project: CO040; KC0302010; TRN: US1701657

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Vol. 18, Issue 45; ISSN 1463-9076

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 17 works

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Title: The complex behavior of the Pd ₇ cluster supported on TiO ₂ (110) during CO oxidation: adsorbate-driven promoting effect