| Tóm tắt: | This data set contains experimental and simulated core-level X-ray absorption spectra of layered Li TM oxide cathode material. These spectra have been background-subtracted, normalised and calibrated to experimental references.
For data analysis and full details of the data set, see "An atomistic interpretation of the oxygen K-edge X-ray absorption spectra of layered Li-ion battery cathode materials" (2024).
Abbrevations:
1. LCO: lithium cobalt oxide, LiCoO2
2. LNO: lithium nickel oxide, LiNiO2
3. LMO: monoclinic lithium manganese oxide, LiMnO2
4. (A)FM: (anti)ferromagnetic
5. XAS: x-ray absorption spectra.
6. JT: Jahn-Teller distortion
7. rhomba: Rhombahedral symmetry
8. coll: collinear
9. broad: Theoretical core-hole spectra broadened to incorporate lifetime and instrumentation effects.
10. mult: multiplied
11. fig: figure
For experimental LNO XAS, please look to the following repository: http://dx.doi.org/10.5287/ora-yxpnqgero
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