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Sökning: onr:"swepub:oai:lup.lub.lu.se:b23aef6b-56c3-42ff-b994-0e60fce4e42b" > Experimental and th...

Experimental and theoretical 2p core-level spectra of size-selected gas-phase aluminum and silicon cluster cations : Chemical shifts, geometric structure, and coordination-dependent screening

Walter, Michael (författare)
Albert-Ludwigs University Freiburg
Vogel, Marlene (författare)
Helmholtz Association of German Research Centers
Zamudio-Bayer, Vicente (författare)
Helmholtz Association of German Research Centers
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Lindblad, Rebecka (författare)
Lund University,Lunds universitet,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Department of Physics,Departments at LTH,Faculty of Engineering, LTH,Helmholtz Association of German Research Centers
Reichenbach, Thomas (författare)
Fraunhofer Institute for Mechanics of Materials (IWM)
Hirsch, Konstantin (författare)
Helmholtz Association of German Research Centers
Langenberg, Andreas (författare)
Helmholtz Association of German Research Centers
Rittmann, Jochen (författare)
Helmholtz Association of German Research Centers
Kulesza, Alexander (författare)
Free University of Berlin
Mitrić, Roland (författare)
Julius Maximilian University of Würzburg
Moseler, Michael (författare)
Albert-Ludwigs University Freiburg
Möller, Thomas (författare)
Technical University of Berlin
Von Issendorff, Bernd (författare)
Albert-Ludwigs University Freiburg
Lau, J. Tobias (författare)
Albert-Ludwigs University Freiburg
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 (creator_code:org_t)
Royal Society of Chemistry, 2019
2019
Engelska 11 s.
Ingår i: Physical Chemistry Chemical Physics. - : Royal Society of Chemistry. - 1463-9076. ; 21:12, s. 6651-6661
  • Tidskriftsartikel (refereegranskat)
Abstract Ämnesord
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  • We present 2p core-level spectra of size-selected aluminum and silicon cluster cations from soft X-ray photoionization efficiency curves and density functional theory. The experimental and theoretical results are in very good quantitative agreement and allow for geometric structure determination. New ground state geometries for Al 12 + , Si 15 + , Si 16 + , and Si 19 + are proposed on this basis. The chemical shifts of the 2p electron binding energies reveal a substantial difference for aluminum and silicon clusters: while in aluminum the 2p electron binding energy decreases with increasing coordination number, no such correlation was observed for silicon. The 2p binding energy shifts in clusters of both elements differ strongly from those of the corresponding bulk matter. For aluminum clusters, the core-level shifts between outer shell atoms and the encapsulated atom are of opposite sign and one order of magnitude larger than the corresponding core-level shift between surface and bulk atoms in the solid. For silicon clusters, the core-level shifts are of the same order of magnitude in clusters and in bulk silicon but no obvious correlation of chemical shift and bond length, as present for reconstructed silicon surfaces, are observed.

Ämnesord

NATURVETENSKAP  -- Fysik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

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