Accession Number : ADA304545

Title :   Quantitative Interpretation of K-Edge NEXAFS Data for Various Nickel Hydroxides and the Charged Nickel Electrode.

Descriptive Note : Technical rept.,

Corporate Author : GEORGE WASHINGTON UNIV WASHINGTON DC DEPT OF CHEMISTRY

Personal Author(s) : Qian, X. ; Sambe, H. ; Ramaker, D. E.

PDF Url : ADA304545

Report Date : JAN 1996

Pagination or Media Count : 26

Abstract : A quantitative interpretation of Ni K-edge NEXAFS data for beta-Ni(OH)2, beta-NiOOH, and BaNiO3, and in situ data for a charged Ni electrode is reported. We have performed curve wave multiple scattering calculations utilizing the FBFF6 code on clusters approximating these materials. These theoretical results reproduce the experimental changes with oxidation remarkably well. Our interpretation of the NEXAFS line shape for the charged electrode indicates that large amounts of Ni+4 exists along with Ni+3.3, giving an average oxidation slightly greater than 3.5, consistent with that shown elsewhere from the edge shift data.

Descriptors :   *NICKEL, *X RAY ABSORPTION ANALYSIS, EMISSION SPECTRA, ELECTRODES, HYDROXIDES, LINE SPECTRA.

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE