Charge transfer in FeOCl intercalation compounds and its pressure dependence: An x-ray spectroscopic study

Jarrige, I; Cai, Y Q; Shieh, S R; Ishii, H; Hiraoka, N; Karna, S; Li, W -H

doi:10.1103/PHYSREVB.82.165121

Title: Charge transfer in FeOCl intercalation compounds and its pressure dependence: An x-ray spectroscopic study

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Abstract

We present a study of charge transfer in Na-intercalated FeOCl and polyaniline-intercalated FeOCl using high-resolution x-ray absorption spectroscopy and resonant x-ray emission spectroscopy at the Fe K edge. By comparing the experimental data with ab initio simulations, we are able to unambiguously distinguish the spectral changes which appear due to intercalation into those of electronic origin and those of structural origin. For both systems, we find that about 25% of the Fe sites are reduced to Fe{sup 2+} via charge transfer between FeOCl and the intercalate. This is about twice as large as the Fe{sup 2+} fraction reported in studies using Moessbauer spectroscopy. This discrepancy is ascribed to the fact that the charge transfer occurs on the same time scale as the Moessbauer effect itself. Our result suggests that every intercalated atom or molecule is involved in the charge-transfer process, thus making this process a prerequisite for intercalation. The Fe{sup 2+} fraction is found to increase with pressure for polyaniline-FeOCl, hinting at an enhancement of the conductivity in the FeOCl intercalation compounds under pressure.

Authors:

Jarrige, I ^[1]; Cai, Y Q ^[2]; Shieh, S R ^[3]; Ishii, H; Hiraoka, N ^[4]; Karna, S; Li, W -H ^[5]

Japan Atomic Energy Agency, SPring-8, 1-1-1 Kouto, Sayo, Hyogo 679-5148 (Japan)
National Synchrotron Light Source II, Brookhaven National Laboratory, Upton, New York 11973-5000 (United States)
Department of Earth Sciences, University of Western Ontario, London, Ontario, N6A 5B7 (Canada)
National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan (China)
Department of Physics, National Central University, Jhongli 32001, Taiwan (China)

Publication Date:: Fri Oct 15 00:00:00 EDT 2010

OSTI Identifier:: 21421465

Resource Type:: Journal Article

Journal Name:: Physical Review. B, Condensed Matter and Materials Physics

Additional Journal Information:: Journal Volume: 82; Journal Issue: 16; Other Information: DOI: 10.1103/PhysRevB.82.165121; (c) 2010 The American Physical Society; Journal ID: ISSN 1098-0121

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ABSORPTION SPECTROSCOPY; ATOMS; CHARGE TRANSPORT; CLATHRATES; ELECTRIC CONDUCTIVITY; EMISSION SPECTROSCOPY; IRON COMPOUNDS; IRON IONS; MOESSBAUER EFFECT; MOLECULES; OXYCHLORIDES; PRESSURE DEPENDENCE; RESOLUTION; SIMULATION; SODIUM ADDITIONS; X RADIATION; X-RAY SPECTROSCOPY; ALLOYS; CHARGED PARTICLES; CHLORINE COMPOUNDS; ELECTRICAL PROPERTIES; ELECTROMAGNETIC RADIATION; HALOGEN COMPOUNDS; IONIZING RADIATIONS; IONS; OXYGEN COMPOUNDS; OXYHALIDES; PHYSICAL PROPERTIES; RADIATIONS; SODIUM ALLOYS; SPECTROSCOPY; TRANSITION ELEMENT COMPOUNDS

Citation Formats


                    Jarrige, I, Cai, Y Q, Shieh, S R, Ishii, H, Hiraoka, N, Karna, S, and Li, W -H. Charge transfer in FeOCl intercalation compounds and its pressure dependence: An x-ray spectroscopic study.  United States: N. p., 2010. 
        Web.  doi:10.1103/PHYSREVB.82.165121.

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                    Jarrige, I, Cai, Y Q, Shieh, S R, Ishii, H, Hiraoka, N, Karna, S, & Li, W -H. Charge transfer in FeOCl intercalation compounds and its pressure dependence: An x-ray spectroscopic study.  United States.  https://doi.org/10.1103/PHYSREVB.82.165121

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                    Jarrige, I, Cai, Y Q, Shieh, S R, Ishii, H, Hiraoka, N, Karna, S, and Li, W -H. 2010.  
        "Charge transfer in FeOCl intercalation compounds and its pressure dependence: An x-ray spectroscopic study".  United States.  https://doi.org/10.1103/PHYSREVB.82.165121.

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@article{osti_21421465,

  title        = {Charge transfer in FeOCl intercalation compounds and its pressure dependence: An x-ray spectroscopic study},

  author       = {Jarrige, I and Cai, Y Q and Shieh, S R and Ishii, H and Hiraoka, N and Karna, S and Li, W -H},

  abstractNote = {We present a study of charge transfer in Na-intercalated FeOCl and polyaniline-intercalated FeOCl using high-resolution x-ray absorption spectroscopy and resonant x-ray emission spectroscopy at the Fe K edge. By comparing the experimental data with ab initio simulations, we are able to unambiguously distinguish the spectral changes which appear due to intercalation into those of electronic origin and those of structural origin. For both systems, we find that about 25% of the Fe sites are reduced to Fe{sup 2+} via charge transfer between FeOCl and the intercalate. This is about twice as large as the Fe{sup 2+} fraction reported in studies using Moessbauer spectroscopy. This discrepancy is ascribed to the fact that the charge transfer occurs on the same time scale as the Moessbauer effect itself. Our result suggests that every intercalated atom or molecule is involved in the charge-transfer process, thus making this process a prerequisite for intercalation. The Fe{sup 2+} fraction is found to increase with pressure for polyaniline-FeOCl, hinting at an enhancement of the conductivity in the FeOCl intercalation compounds under pressure.},

  doi          = {10.1103/PHYSREVB.82.165121},

  url          = {https://www.osti.gov/biblio/21421465},
  journal      = {Physical Review. B, Condensed Matter and Materials Physics},

  issn         = {1098-0121},

  number       = 16,

  volume       = 82,

  place        = {United States},

  year         = {Fri Oct 15 00:00:00 EDT 2010},

  month        = {Fri Oct 15 00:00:00 EDT 2010}

}

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