Spectroscopy — The Origins of Ion Conductivity in MOF-Ionic Liquids Hybrid Solid Electrolytes

5 measurement groups · 10 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

MIL-121/Li · Pellet

0.02 g rinsed and dried MIL-121/Li digested with 5 ml HNO3; ramp to 250 deg C in 30 min and hold 30 min

Context: Li ion-exchanged framework
Measurement source: 2 · 2 Materials and Methods · Supplementary Table S1 referenced

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Li ion-exchange degree	approximately one third of free carboxylic protons exchanged with Li+	—	—	Text Approximate	3 · 3 Results and Discussion · Table 1
experimental Al content in MIL-121/Li	8.5 wt%	8.5 wt%	relative error 10%	SI Table Exact Reported	SI p003 · Table S1 · Table S1
theoretical Al content at 100% ion exchange	9.1 wt%	9.1 wt%	—	SI Table Exact Reported	SI p003 · Table S1 · Table S1
experimental Li content in MIL-121/Li	1.3 wt%	1.3 wt%	relative error 10%	SI Table Exact Reported	SI p003 · Table S1 · Table S1
theoretical Li content at 100% ion exchange	4.5 wt%	4.5 wt%	—	SI Table Exact Reported	SI p003 · Table S1 · Table S1

MIL-121 + IL + LiTFSI · Pellet

Bruker Avance III 300; 7.0 T; 116.59 MHz for 7Li; 90 degree pulses 2-3 us; 10 s recycle delay; 128 FIDs; Duran tubes fire sealed

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Li+ mobility onset in LiTFSI/EMIM-TFSI control	7Li NMR line is fully narrowed already at -20 deg C; all Li+ species are already mobile above -20 deg C	253.15 K	—	Text Qualitative	5 · 3 Results and Discussion · Figure 4C

MIL-121/Li + IL · Pellet

Bruker Avance III 300; 7.0 T; 116.59 MHz for 7Li; 90 degree pulses 2-3 us; 10 s recycle delay; 128 FIDs; Duran tubes fire sealed

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
7Li NMR line-shape interpretation	broad lines over entire domain with a very small narrowed line above -20 deg C; two lithium spin reservoirs	253.15 K	—	Text Qualitative	6 · 3 Results and Discussion · Figure 4A

MIL-121/Li + IL + LiTFSI · Pellet

Bruker Avance III 300; 7.0 T; 116.59 MHz for 7Li; 90 degree pulses 2-3 us; 10 s recycle delay; 128 FIDs; Duran tubes fire sealed

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
7Li NMR intermediate mobility	broad 7Li NMR line with a significantly narrower line; higher fraction of fast Li+ species than MIL-121/Li + IL	—	—	Text Qualitative	6 · 3 Results and Discussion · Figure 4B

MIL-121/Li + IL + LiTFSI · Pellet

Supplementary comparison of normalised 7Li NMR intensities at 21 deg C for Li-containing samples and at 100 deg C for lithium/ionic-liquid samples.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
normalised 7Li NMR line-width comparison at 100 deg C	samples containing lithium and ionic liquids remain distinguishable by line width; LiTFSI controls have the narrowest central features	373.15 K	—	Caption Qualitative	SI p002 · Supplementary Figures · Figure S2b
normalised 7Li NMR line-width comparison at 21 deg C	MIL-121/Li and MIL-121/Li + IL are broad; LiTFSI-containing samples show narrower components, illustrating different line widths and two spin reservoirs	294.15 K	—	Caption Qualitative	SI p002 · Supplementary Figures · Figure S2a