Re: [Ifeffit] [Ext] Deglitch the data

2023-07-16 Thread Qingying Jia
Agree. Took a quick look at your spectrum. The IrOx seems to be extremely amorphous without much Ir-Ir interactions. The dip is around 11 (A-1) in the k-space. So you may just truncate anything beyond that dip and the remaining spectrum should carry most useful information and be fitable, at least

Re: [Ifeffit] [Ext] Question about EXAFS fitting of mixtures

2023-05-15 Thread Qingying Jia
EXAFS fit will not tell apart. XANES analysis with or without LCA will. On Mon, May 15, 2023 at 7:09 PM Soyoung Kim wrote: > Dear all, > > While fitting EXAFS for tiny Pt nanoparticles, a simple question occurred > to me. For these two scenarios: > 1. All Pt atoms are coordinated to 3 O atoms

Re: [Ifeffit] No shift in XANES absorption peak

2018-06-11 Thread Qingying Jia
Hi Disha, For such a huge shit of bond distance, the corresponding lattice constant change should be readily seen by XRD. It will also shift the XANES edge slightly. Regards, On Mon, Jun 11, 2018 at 10:58 AM, Disha Gupta wrote: > Dear Claudia, Qingying Jia, Matt > > Thank yo

Re: [Ifeffit] No shift in XANES absorption peak

2018-06-11 Thread Qingying Jia
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

Re: [Ifeffit] Nearest neighbor statistics in a random alloy

2017-06-23 Thread Qingying Jia
Hi Felix, Your assumptions are not correct because the model you use is not a representative unit cluster model. Basically the following three equations are always correct for foil: NPt-Pt+NPt-Co=12 NCo-Co+NCo-Pt=12 NCo-Pt/NPt-Co=9 And the specific values for the coordination number can be

Re: [Ifeffit] Ti data problem

2016-08-08 Thread Qingying Jia
Hi Carlo, In many transition metal oxide cases like this, what would be the more proper E0, the position of the apex of the first derivative peak or the second one that is usually higher than the first peak, or it really depends? I have seen people using either. In this particular case, it