Showing papers in "Journal of Physical Chemistry B in 1996"
TL;DR: In this paper, a quantitative interpretation of Ni K-edge NEXAFS data for beta-Ni(OH)2, β-NiOOH, and BaNiO3 in situ data for a charged Ni electrode is reported.
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.
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