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

被引:51
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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共 55 条
  • [31] Oxygen Binding to Cobalt and Iron Phthalocyanines As Determined from in Situ X-ray Absorption Spectroscopy
    Miedema, Piter S.
    van Schooneveld, Matti M.
    Bogerd, Rene
    Rocha, Tulio C. R.
    Haevecker, Michael
    Knop-Gericke, Axel
    de Groott, Frank M. F.
    [J]. JOURNAL OF PHYSICAL CHEMISTRY C, 2011, 115 (51) : 25422 - 25428
  • [32] The nature of the nonmetal-metal transition in LixCoO2 oxide
    Milewska, A.
    Swierczek, K.
    Tobola, J.
    Boudoire, F.
    Hu, Y.
    Bora, D. K.
    Mun, B. S.
    Braun, A.
    Molenda, J.
    [J]. SOLID STATE IONICS, 2014, 263 : 110 - 118
  • [34] In situ x-ray absorption of Co/Mn/TiO2 catalysts for Fischer-Tropsch synthesis
    Morales, F
    de Groot, FMF
    Glatzel, P
    Kleimenov, E
    Bluhm, H
    Hävecker, M
    Knop-Gericke, A
    Weckhuysen, BM
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2004, 108 (41) : 16201 - 16207
  • [35] Electronic structure and chemistry of iron-based metal oxide nanostructured materials:: A NEXAFS investigation of BiFeO3, Bi2Fe4O9, α-Fe2O3, γ-Fe2O3, and Fe/Fe3O4
    Park, Tae-Jin
    Sambasivan, Sharadha
    Fischer, Daniel A.
    Yoon, Won-Sub
    Misewich, James A.
    Wong, Stanislaus S.
    [J]. JOURNAL OF PHYSICAL CHEMISTRY C, 2008, 112 (28) : 10359 - 10369
  • [36] THE CRYSTAL STRUCTURE OF A DISORDERED FORM OF IRON(II) FLUORIDE TETRAHYDRATE
    PENFOLD, BR
    TAYLOR, MR
    [J]. ACTA CRYSTALLOGRAPHICA, 1960, 13 (11): : 953 - 956
  • [37] The CTM4XAS program for EELS and XAS spectral shape analysis of transition metal L edges
    Stavitski, Eli
    de Groot, Frank M. F.
    [J]. MICRON, 2010, 41 (07) : 687 - 694
  • [38] Electron yield soft X-ray photoabsorption spectroscopy under normal ambient-pressure conditions
    Tamenori, Yusuke
    [J]. JOURNAL OF SYNCHROTRON RADIATION, 2013, 20 : 419 - 425
  • [39] Large thermoelectric power in NaCo2O4 single crystals
    Terasaki, I
    Sasago, Y
    Uchinokura, K
    [J]. PHYSICAL REVIEW B, 1997, 56 (20): : 12685 - 12687
  • [40] SPIN-MIXED GROUND-STATE OF FE PHTHALOCYANINE AND THE TEMPERATURE-DEPENDENT BRANCHING RATIO IN X-RAY ABSORPTION-SPECTROSCOPY
    THOLE, BT
    VANDERLAAN, G
    BUTLER, PH
    [J]. CHEMICAL PHYSICS LETTERS, 1988, 149 (03) : 295 - 299