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Evidence for a cubic-to-icosahedral transition of quasi-free Pd-H-clusters controlled by the hydrogen content |
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| Authors: | A. Pundt M. Dornheim M. Guerdane H. Teichler H. Ehrenberg M.T. Reetz N.M. Jisrawi |
| Affiliation: | Institute of Materials Physis, University of G?ttingen, 37073 G?ttingen, Germany, DE Darmstadt University of Technology, Institute of Materials Science, 64287 Darmstadt, Germany, DE Max-Planck-Institut für Kohlenforschung, 45470 Mühlheim, Germany, DE Department of Physics, Birzeit University, P.O. Box 14, Birzeit, Palestine, PS |
| Abstract: | An in situ synchrotron radiation study of quasi-free five nanometer-sized palladium clusters during hydrogen absorption is combined with molecular dynamics simulations to investigate the structural development. In the diffraction patterns, strong intensity changes are found that provide evidence for a structural phase transformation that is significantly different from the α--Pd-H bulk phase transition. The structural transition is reversible and driven by the hydrogen concentration. The intensity changes are consistent with a cubic-to-icosahedral structural phase transition obtained in molecular dynamical simulations using embedded-atom-method potentials. Received 15 October 2001 and Received in final form 7 February 2002 |
| Keywords: | PACS. 64.70.Nd Structural transitions in nanoscale materials – 61.46.+w Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals – 68.65.-k Low-dimensional, mesoscopic, and nanoscale systems: structure and nonelectronic properties |
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