Open AccessHigh‐temperature EXAFS study of solid and liquid rhodium
Author(s) -
Aquilanti G.,
Di Cicco A.,
Minicucci M.,
Filipponi A.,
Rybicki J.
Publication year - 1999
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s0909049599001090
Subject(s) - rhodium , extended x ray absorption fine structure , scattering , gaussian , ab initio , ab initio quantum chemistry methods , spectral line , atmospheric temperature range , phase (matter) , chemistry , range (aeronautics) , materials science , analytical chemistry (journal) , molecular physics , absorption spectroscopy , thermodynamics , computational chemistry , physics , optics , molecule , chromatography , organic chemistry , catalysis , biochemistry , astronomy , composite material
Accurate EXAFS spectra of solid and liquid rhodium at very high temperature were recorded at the E.S.R.E (BM29, Grenoble) The short range g(r) was determined using reliable EXAFS data-analysis methods based on ab-initio multiple scattering calculations. Experimental results were compared with moleculardynamics (MD) calculations. The first neighbor distribution departs from a simple Gaussian model, even at moderate temperatures in the solid phase.