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

DOI: 10.1007/s11244-016-0545-7 DOI Help

Authors: Chi M. Yim (University College London (UCL)) , Chi L. Pang (University College London) , Geoff Thornton (University College London)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Topics In Catalysis , VOL 59 , PAGES 708 - 724

State: Published (Approved)
Published: March 2016
Diamond Proposal Number(s): 6485

Open Access Open Access

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) (111) top facet with {111} {111} and {100} {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.

Journal Keywords: Carbon monoxide; Nanoparticle; Adsorption; NEXAFS; Simulation

Subject Areas: Chemistry, Materials


Instruments: I06-Nanoscience

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art%3A10.1007%2Fs11244-016-0545-7.pdf