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...

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Chi tiết về thư mục
Những tác giả chính: Sutton, K, Barnett, SA, Christensen, K, Nowell, H, Thompson, A, Allan, DR, Cooper, R
Định dạng: Journal article
Ngôn ngữ:English
Được phát hành: 2013
Miêu tả
Tóm tắt: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).