Evidence for a cubic-to-icosahedral transition of quasi-free Pd-H-clusters controlled by the hydrogen content

Pundt, AstridAstridPundtDornheim, M.M.DornheimGuerdane, MohamedMohamedGuerdaneTeichler, HelmarHelmarTeichlerEhrenberg, H.H.EhrenbergReetz, M. T.M. T.ReetzJisrawi, N. M.N. M.Jisrawi2018-11-072018-11-072002https://resolver.sub.uni-goettingen.de/purl?gro-2/43295An 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.Evidence for a cubic-to-icosahedral transition of quasi-free Pd-H-clusters controlled by the hydrogen contentjournal_article10.1140/epjd/e20020080000176409500006