DetOx: a program for determining anomalous scattering factors of mixed-oxidation-state species.

Overlapping absorption edges will occur when an element is present in multiple oxidation states within a material. DetOx is a program for partitioning overlapping X-ray absorption spectra into contributions from individual atomic species and computing the dependence of the anomalous scattering facto...

תיאור מלא

מידע ביבליוגרפי
Main Authors: Sutton, K, Barnett, SA, Christensen, K, Nowell, H, Thompson, A, Allan, DR, Cooper, R
פורמט: Journal article
שפה:English
יצא לאור: 2013
תיאור
סיכום:Overlapping absorption edges will occur when an element is present in multiple oxidation states within a material. DetOx is a program for partitioning overlapping X-ray absorption spectra into contributions from individual atomic species and computing the dependence of the anomalous scattering factors on X-ray energy. It is demonstrated how these results can be used in combination with X-ray diffraction data to determine the oxidation state of ions at specific sites in a mixed-valance material, GaCl(2).