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Influence of crystal structure, ligand environment and morphology on Co L-edge XAS spectral characteristics in cobalt compounds
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology. Lawrence Berkeley National Laboratory, United States; University of Science and Technology of China, China.
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2015 (English)In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 22, 1450-1458 p.Article in journal (Refereed) PublishedText
Abstract [en]

The electronic structure of a material plays an important role in its functionality for different applications which can be probed using synchrotron-based spectroscopy techniques. Here, various cobalt-based compounds, differing in crystal structure, ligands surrounding the central metal ion and morphology, have been studied by soft X-ray absorption spectroscopy (XAS) at the Co L-edge in order to measure the effect of these parameters on the electronic structure. A careful qualitative analysis of the spectral branching ratio and relative intensities of the L 3 and L 2 peaks provide useful insight into the electronic properties of compounds such as CoO/Co(OH)2, CoCl2.6H2O/CoF2.4H2O, CoCl2/CoF2, Co3O4 (bulk/nano/micro). For further detailed analysis of the XAS spectra, quantitative analysis has been performed by fitting the spectral profile with simulated spectra for a number of cobalt compounds using crystal field atomic multiplet calculations.

Place, publisher, year, edition, pages
International Union of Crystallography , 2015. Vol. 22, 1450-1458 p.
Keyword [en]
branching ratio, cobalt L-edge, I(L3)/I(L2) ratio, NEXAFS, site symmetry, Cobalt, Cobalt compounds, Electronic properties, Electronic structure, Ligands, Metal ions, Metals, X ray absorption spectroscopy, Qualitative analysis, Relative intensity, Simulated spectra, Soft x-ray absorption spectroscopies, Spectral characteristics, Crystal structure
National Category
Physical Sciences
URN: urn:nbn:se:kth:diva-181234DOI: 10.1107/S1600577515017178ScopusID: 2-s2.0-84946737757OAI: diva2:900881

QC 20160205

Available from: 2016-02-05 Created: 2016-01-29 Last updated: 2016-02-05Bibliographically approved

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Luo, Yi
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