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Calculation of the Near Edge X-Ray Absorption Structure of Adsorbates by the Scattered Wave Xα Method

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EXAFS and Near Edge Structure III

Part of the book series: Springer Proceedings in Physics ((SPPHY,volume 2))

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Abstract

Near edge x-ray absorption spectroscopy is now being used to obtain information on the geometry and chemical bonding of adsorbed species [1,2]. In cases where the adsorbate geometry is not known with certainty it is useful to be able to compare the experimental near edge spectrum with a calculated spectrum for model systems representing various possible configurations of the adsorbed species. I describe in this paper a general technique for the computation of the near edge structure of adsorbates within the framework of the Scattered Wave Xα method and illustrate the application of this technique by a calculation of the near edge structure at the carbon K edge of ethylene and ethylidyne (CCH3) on Pt(111).

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References

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Author information

Authors and Affiliations

  1. Corporate Research Science Laboratories, Exxon Research and Engineering Co., Clinton Township, Annandale, NJ, 08801, USA

    J. A. Horsley

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  1. J. A. Horsley
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Editor information

Editors and Affiliations

  1. Department of Chemistry, Stanford University, Stanford, CA, 94305, USA

    Keith O. Hodgson , Britt Hedman  & James E. Penner-Hahn ,  & 

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© 1984 Springer-Verlag Berlin Heidelberg

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Horsley, J.A. (1984). Calculation of the Near Edge X-Ray Absorption Structure of Adsorbates by the Scattered Wave Xα Method. In: Hodgson, K.O., Hedman, B., Penner-Hahn, J.E. (eds) EXAFS and Near Edge Structure III. Springer Proceedings in Physics, vol 2. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-46522-2_12

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  • DOI: https://doi.org/10.1007/978-3-642-46522-2_12

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-46524-6

  • Online ISBN: 978-3-642-46522-2

  • eBook Packages: Springer Book Archive

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