Influence of crystal structure, ligand environment and morphology on Co L-edge XAS spectral characteristics in cobalt compounds

被引:56
作者
Bora, D. K. [1 ]
Cheng, X. [1 ,2 ,3 ]
Kapilashrami, M. [1 ]
Glans, P. A. [1 ]
Luo, Y. [2 ,3 ]
Guo, J. -H. [1 ,4 ]
机构
[1] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA
[2] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Peoples R China
[3] Royal Inst Technol, Dept Theoret Chem, Sch Biotechnol, SE-10691 Stockholm, Sweden
[4] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA
关键词
cobalt L-edge; NEXAFS; branching ratio; site symmetry; I(L-3) / I(L-2) ratio; X-RAY-ABSORPTION; TRANSITION-METAL COMPOUNDS; ELECTRONIC-STRUCTURE; BRANCHING RATIO; SPECTROSCOPY; CATALYSTS; SIZE; PHOTOEMISSION; ALPHA-FE2O3; LICOO2;
D O I
10.1107/S1600577515017178
中图分类号
TH7 [仪器、仪表];
学科分类号
0804 ; 080401 ; 081102 ;
摘要
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 center dot 6H(2)O/CoF2 center dot 4H(2)O, 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.
引用
收藏
页码:1450 / 1458
页数:9
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