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Chemical shifts of small heterogeneous Ar/Xe clusters
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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2011 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 83, no 12, 125414- p.Article in journal (Refereed) Published
Abstract [en]

Heterogeneous rare-gas clusters produced by a coexpansion of an argon/xenon mixture have been studied using synchrotron-radiation-based photoelectron spectroscopy. Both valence and Xe 4d(5/2) core-level photoelectron spectra were recorded for three different concentrations of the primary argon/xenon mixture and, for those mixtures, spectra were recorded at several different stagnation conditions. The studied size regime of the mixed clusters ranges from large, similar to those studied in an earlier paper [Phys. Rev. A 69, 031210(R) (2004)], to very small-as reflected in the cluster line shapes and chemical shifts. The chemical shifts obtained from a curve fitting procedure similar to that used in our earlier paper are discussed in terms of the mixed cluster structure which can be expected from equilibrium considerations and the Lennard-Jones parameters of the constituent atoms. Molecular dynamics simulations of the vertical polarization shifts allow more specific assignments of "on-top" sites and interfacial sites.

Place, publisher, year, edition, pages
2011. Vol. 83, no 12, 125414- p.
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-96749DOI: 10.1103/PhysRevB.83.125414ISI: 000288646500007OAI: oai:DiVA.org:uu-96749DiVA: diva2:171428
Available from: 2008-02-28 Created: 2008-02-28 Last updated: 2012-03-13Bibliographically approved
In thesis
1. A Treatise on the Geometric and Electronic Structure of Clusters: Investigated by Synchrotron Radiation Based Electron Spectroscopies
Open this publication in new window or tab >>A Treatise on the Geometric and Electronic Structure of Clusters: Investigated by Synchrotron Radiation Based Electron Spectroscopies
2008 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Clusters are finite ensembles of atoms or molecules with sizes in the nanometer regime (i.e. nanoparticles). This thesis present results on the geometric and electronic structure of homogeneous and heterogeneous combinations of atoms and molecules. The systems have been studied with synchrotron radiation and valence, core and Auger electron spectroscopic techniques.

The first theme of the thesis is that of mixed clusters. It is shown that by varying the cluster production technique both structures that are close to that predicted by equilibrium considerations can be attained as well as far from equilibrium structures.

Electronic processes following ionization constitute the second theme. The post-collision interaction phenomenon, energy exchange between the photo- and the Auger electrons, is shown to be different in clusters of argon, krypton and xenon. A model is proposed that takes polarization screening in the final state into account. This result is of general character and should be applicable to the analysis of core level photoelectron and Auger electron spectra of insulating and semi-conducting bulk materials as well.

Interatomic Coloumbic Decay is a process that can occur in the condensed phases of weakly bonded systems. Results on the time-scale of the process in Ne clusters and mixed Ar/Ne clusters are herein discussed, as well observations of resonant contributions to the process. In analogy to Auger vis-à-vis Resonant Auger it is found that to the ICD process there is a corresponding Resonant ICD process possible. This has later been observed in other systems and by theoretical calculations as well in subsequent works by other groups.

Delocalization of dicationic valence final states in the hydrogen bonded ammonia clusters and aqueous ammonia has also been investigated by Auger electron spectroscopy. With those results it was possible to assign a previously observed feature in the Auger electron spectrum of solid ammonia.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2008. 103 p.
Series
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 393
Keyword
Cluster, nanoparticle, Heterogeneous, Homogeneous, Mixed, Cluster production methods, co-expansion, pick-up, doping, Cluster geometry, radial segregation, Interatomic Coulombic Decay, ICD, Auger electron spectroscopy, AES, X-ray photoelectron spectroscopy, XPS, Ultra-violet spectroscopy, UPS, Noble gas, Rare gas, Ne, Ar, Kr, Xe, Ammonia, NH3, Sulphur hexafluoride, SF6, MAX-lab, BESSY
National Category
Physical Sciences
Identifiers
urn:nbn:se:uu:diva-8463 (URN)978-91-554-7095-1 (ISBN)
Public defence
2008-03-14, Häggsalen, Ångströmlaboratoriet, Lägerhyddsvägen 1, Uppsala, 10:15
Opponent
Supervisors
Available from: 2008-02-28 Created: 2008-02-28Bibliographically approved

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