Extracting dynamic information from EXAFS: simultaneous analysis of multiple temperature-dependent data.
A new approach to the extraction of dynamic information from extended X-ray absorption fine-structure (EXAFS) spectra has been developed. With this method, a complete set of temperature-dependent spectra are fit simultaneously to one of a variety of pair-distribution functions. Distributions are calculated in r-space using the appropriate absorber-scatterer pair potential. The temperature-dependent EXAFS spectra are calculated by summing k-space models over a range of distances and angles weighted according to the relative contribution of each geometry to the distribution. This approach allows refinement of data using a full multiple-scattering analysis with only modest computational time.
Daly
K A
KA
Department of Chemistry, University of Michigan, Ann Arbor, MI 48109, USA.
Penner-Hahn
J E
JE