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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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http://pubman.mpdl.mpg.de/cone/persons/resource/persons58919

Reetz,  M. T.
Research Department Reetz, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Department Reetz, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Department Reetz, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Citation

Pundt, A., Dornheim, M., Guerdane, M., Teichler, H., Ehrenberg, H., Reetz, M. T., et al. (2002). Evidence for a cubic-to-icosahedral transition of quasi-free Pd-H-clusters controlled by the hydrogen content. European Physical Journal D, 19(3), 333-337. doi:10.1140/epjd/e20020080.


Cite as: http://hdl.handle.net/11858/00-001M-0000-000F-99DD-D
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 alpha-alpha'-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.