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Holding onto Electrons in Alkali Metal Halide Clusters: Decreasing Polarizability with Increasing Coordination
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Surface and Interface Science.
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2012 (English)In: Journal of Physical Chemistry A, ISSN 1089-5639, E-ISSN 1520-5215, Vol. 116, no 49, 12104-12111 p.Article in journal (Refereed) Published
Abstract [en]

The connection between the electronic polarizability and the decrease of the system size from macroscopic solid to nanoscale clusters has been addressed in a combined experimental and model-calculation study. A beam of free neutral potassium chloride clusters has been probed using synchrotron-radiation-based photoelectron spectroscopy. The introduction of "effective" polarizability for chlorine, lower than that in molecules and dimers and decreasing with increasing coordination, has allowed us to significantly improve the agreement between the experimental electron binding energies and the electrostatic model predictions. Using the calculated site-specific binding energies, we have been able to assign the spectral details of the cluster response to the ionizing X-ray radiation, and to explain its change with cluster size. From our assignments we find that the higher-coordination face-atom responses in the K 3p spectra increase significantly with increasing cluster size relative to that of the edge atoms. The reasons behind the decrease of polarizability predicted earlier by ab initio calculations are discussed in terms of the limited mobility of the electron clouds caused by the interaction with the neighboring ions.

Place, publisher, year, edition, pages
2012. Vol. 116, no 49, 12104-12111 p.
National Category
Natural Sciences
Identifiers
URN: urn:nbn:se:uu:diva-191769DOI: 10.1021/jp307786zISI: 000312175900014OAI: oai:DiVA.org:uu-191769DiVA: diva2:588298
Available from: 2013-01-15 Created: 2013-01-14 Last updated: 2017-12-06Bibliographically approved
In thesis
1. Multicomponent Clusters/Nanoparticles: An Investigation of Electronic and Geometric Properties by Photoelectron Spectroscopy
Open this publication in new window or tab >>Multicomponent Clusters/Nanoparticles: An Investigation of Electronic and Geometric Properties by Photoelectron Spectroscopy
2013 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Clusters/nanoparticles are aggregates of a “small” number of building blocks, atoms or molecules, ranging from two up to millions of atoms. Two main groups of clusters have been studied using photoelectron spectroscopy based on synchrotron radiation. They are dry/wet alkali-halide clusters, including pure water clusters, and metal-based nanoparticles.

For the dry alkali halide clusters, analysis of the data and theoretical modeling has allowed us insights into the local electronic properties at nanoscale: a change of polarizability of ions in the alkali-halide clusters due to the varying environment has been suggested. The study of the wet salt clusters shows that the alkali-halides are already solvated at the nanoscale reached by water clusters doped with salt vapor.

The photoelectron angular distribution of water cluster shows lower anisotropy parameters as compared to the separate monomers. A model based on intracluster scattering has been built to partly explain the reduction.

In the last part of the thesis, metal-based multi-component nanoparticles have been produced by self-assembly processes using reactive magnetron sputtering. Depending on the specific metal element, oxidation processes have been applied before or after the aggregation. Clearly radial distributions such as core-shell and “sandwich-like” structures have unambiguously determined by photoelectron spectroscopy.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2013. 92 p.
Series
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 1065
Keyword
Clusters, Nanoparticles, Alloy, Atmospheric chemistry, Alkali halide, Transition metals, X-ray Photoelectron spectroscopy, Polarizability, Core-shell, Sandwich structure, MAX-lab, BESSY II
National Category
Condensed Matter Physics Atom and Molecular Physics and Optics
Identifiers
urn:nbn:se:uu:diva-205651 (URN)978-91-554-8730-0 (ISBN)
Public defence
2013-10-03, Room 80101, Lägerhyddsvägen 1, Uppsala, 10:00 (English)
Opponent
Supervisors
Available from: 2013-09-12 Created: 2013-08-21 Last updated: 2014-01-22

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Zhang, ChaofanAndersson, TomasSvensson, SvanteBjörneholm, Olle

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