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Simulation of Near Edge X-ray Absorption Fine Structure (NEXAFS) Measurements of CO on Supported Pd Nanoparticles

Yim, CM; pang, CL; thornton, G; (2016) Simulation of Near Edge X-ray Absorption Fine Structure (NEXAFS) Measurements of CO on Supported Pd Nanoparticles. Topics in Catalysis , 59 (8) pp. 708-724. 10.1007/s11244-016-0545-7. Green open access

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Abstract

Near edge X-ray absorption fine structure (NEXAFS) measurements of CO on Pd nanoparticles have been simulated. This was achieved by calculating the CO π* resonance signal of CO on a nanoparticle both as a function of the angle of incidence (I vs θ) and the direction of the electric field vector E of the incident photon beam (I vs β), with the nanoparticle defined as a (111) top facet with {111} and {100} side facets. The dependence of the π* resonance intensity signal of CO covered nanoparticles on the particle geometry and orientation as well as the bond orientation of CO is examined. In addition, we compare our simulations to a set of C K-edge NEXAFS experimental data obtained from a single Pd nanoparticle decorated with CO. Our simulation predicts that the nanoparticle has a high lateral aspect ratio of 37.7 ± 4.1.

Type: Article
Title: Simulation of Near Edge X-ray Absorption Fine Structure (NEXAFS) Measurements of CO on Supported Pd Nanoparticles
Location: US
Open access status: An open access version is available from UCL Discovery
DOI: 10.1007/s11244-016-0545-7
Publisher version: http://dx.doi.org/10.1007/s11244-016-0545-7
Language: English
Additional information: © The Author(s) 2016 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.
Keywords: Carbon monoxide, nanoparticle, adsorption, NEXAFS, simulation
UCL classification: UCL
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/1477208
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