Bulletin of the American Physical Society
APS March Meeting 2018
Volume 63, Number 1
Monday–Friday, March 5–9, 2018; Los Angeles, California
Session T60: Poster Session III
1:00 PM,
Thursday, March 8, 2018
LACC
Room: West Hall A
Abstract ID: BAPS.2018.MAR.T60.265
Abstract: T60.00265 : Ab inito study of core-level shifts in nanoclusters and their correlation with the absorption energies on the surface.
Presenter:
Igor Abrikosov
(The Department of Physics, Chemistry and Biology (IFM), Linköping University)
Authors:
Alexey Tal
(The Department of Physics, Chemistry and Biology (IFM), Linköping University)
Weine Olovsson
(The Department of Physics, Chemistry and Biology (IFM), Linköping University)
Alvaro Posada-Borbon
(Department of Applied Physics and Competence Centre for Catalysis, Chalmers University of Technology)
Henrik Grönbeck
(Department of Applied Physics and Competence Centre for Catalysis, Chalmers University of Technology)
Igor Abrikosov
(The Department of Physics, Chemistry and Biology (IFM), Linköping University)
In order to investigate the correlation between the shifts of the core states and catalytic activity, we have studied Pd nanocluster with icosahedral and octahedral morphology. The absorption of ethylene was modelled for different sites and it was shown that it is well correlated with the core-level shifts. Thus, we show that XPS spectra may provide means for characterization of nanoclusters catalytic properties.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2018.MAR.T60.265
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