[Ifeffit] No shift in XANES absorption peak

Qingying Jia qjia at hawk.iit.edu
Mon Jun 11 08:59:23 CDT 2018

Hi Disha,

  The shift in bond distance in this case, is not necessarily associated
with the change of oxidation state. It can be simply caused by the
insertion/removal of Li/Na or whatever depending on your battery type
during the charge/discharge, which sometimes changes the oxidation state of
Mn slightly, sometimes doesn't.


On Sun, Jun 10, 2018 at 11:34 PM, Disha Gupta <dsha.91 at gmail.com> wrote:

> Dear All
> Firstly, I would like to say sorry if I have missed out on this discussion
> before but it would be great if you could help me out.
> I have been analyzing some Mn K-edge XAS data for some battery materials.
> While the XANES data shows no shift in the main absorption peak which means
> that there is no oxidation change happening, however, when I am fitting the
> data in Artemis, I can see a shift in the bond lengths suggesting an
> oxidation change. Is it possible that bond lengths change even though XANES
> spectra show no change?
> Thank you and Kind Regards
> Disha
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