Research data supporting "Enhanced efficiency of solid-state NMR investigations of energy materials using an external Automatic Tuning/Matching (eATM) robot"
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Repository DOI
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Type
Dataset
Change log
Authors
Pecher, O
Halat, DM
Griffith, KJ
Description
LiFePO4: 7Li and 31P solid-state MAS NMR data of LiFePO4 at 7.05 T.
La2NiO4: 17O solid-state MAS variable-temperature NMR of La2NiO4 at 16.4 T, at 79°C and 148°C.
B-Nb2O5: Raw XRD data (B-Nb2O5) as plotted in supplementary information. 93Nb solid-state (static) NMR data of B-Nb2O5 at 16.4 T. Calculations of NMR parameters of B-Nb2O5 as output from the solid-state density functional theory (DFT) code CASTEP, on both relaxed and ICSD structures.
All experimental and computational parameters are given in the article and/or data files.
Version
Software / Usage instructions
text reader; TopSpin (Bruker) or other NMR program reading dx files
Keywords
XRD, X-ray diffraction, powder XRD, powder X-ray diffraction, Nb2O5, solid-state NMR, 93Nb, density functional theory, DFT, chemical shielding tensors, electric field gradient tensors, 17O, 7Li, 31P, LiFePO4, La2NiO4, variable-temperature NMR, ultra-wideline NMR, MAS NMR
Publisher
Sponsorship
European Commission (655444)