Spectroscopy — Toward High-Performance Metal–Organic-Framework-Based Quasi-Solid-State Electrolytes: Tunable Structures and Electrochemical Properties

Measurement evidence

Spectroscopy

Toward High-Performance Metal–Organic-Framework-Based Quasi-Solid-State Electrolytes: Tunable Structures and Electrochemical Properties · Dong P., Zhang X., Hiscox W. et al. · Advanced Materials · 2023 · 2211841

12 measurement groups · 28 results

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

FTIR

Infrared spectroscopy

Li@Zn-MOF-74 particles · Powder

FTIR spectra, 600-4000 cm-1, 4 cm-1 resolution at room temperature.

Geometry: powder FTIR
Context: guest-loaded MOF particle
Measurement source: article p.8 · Solvation Structures · Figure 5e

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
S-N-S peak shift vs LiTFSI	Delta = 4.8 cm-1 lower wavenumber	—	—	Text Rounded Reported	article p.8 · Solvation Structures · Figure 5e
TFSI S-N-S bending peak	742 cm-1	—	—	Text Rounded Reported	article p.8 · Solvation Structures · Figure 5e

7Li solid-state MAS NMR inversion-recovery T1

Nuclear magnetic resonance

Li@HKUST-1 particles · Powder

4.0 mm solid-state NMR probe at 233.2 MHz; samples packed under Ar; T1 fitted by Equation S4.

Geometry: solid-state NMR rotor
Context: guest-loaded MOF or composite electrolyte
Measurement source: SI p.S-47 · 7Li MAS NMR · Table S8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
7Li spin-lattice relaxation time T1Marked as a best value within this paper	0.036 s	—	—	SI Table Exact Reported	SI p.S-48 · 7Li MAS NMR · Table S8

7Li solid-state MAS NMR inversion-recovery T1

Nuclear magnetic resonance

Li@Mg-MOF-74 particles · Powder

4.0 mm solid-state NMR probe at 233.2 MHz; samples packed under Ar; T1 fitted by Equation S4.

Geometry: solid-state NMR rotor
Context: guest-loaded MOF or composite electrolyte
Measurement source: SI p.S-83 · 7Li MAS NMR · Figure S65

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
7Li spin-lattice relaxation time T1	1.036 s	—	—	Caption Exact Reported	SI p.S-83 · 7Li MAS NMR · Figure S65

7Li solid-state MAS NMR inversion-recovery T1

Nuclear magnetic resonance

Li@MOF-5 particles · Powder

4.0 mm solid-state NMR probe at 233.2 MHz; samples packed under Ar; T1 fitted by Equation S4.

Geometry: solid-state NMR rotor
Context: guest-loaded MOF or composite electrolyte
Measurement source: SI p.S-47 · 7Li MAS NMR · Table S8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
7Li spin-lattice relaxation time T1	1.008 s	—	—	SI Table Exact Reported	SI p.S-48 · 7Li MAS NMR · Table S8

7Li solid-state MAS NMR inversion-recovery T1

Nuclear magnetic resonance

Li@Zn-MOF-74 particles · Powder

4.0 mm solid-state NMR probe at 233.2 MHz; samples packed under Ar; T1 fitted by Equation S4.

Geometry: solid-state NMR rotor
Context: guest-loaded MOF or composite electrolyte
Measurement source: SI p.S-47 · 7Li MAS NMR · Table S8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
7Li spin-lattice relaxation time T1	0.578 s	—	—	SI Table Exact Reported	SI p.S-48 · 7Li MAS NMR · Table S8

7Li solid-state MAS NMR inversion-recovery T1

Nuclear magnetic resonance

Li@Zn-MOF-74/Li-IL electrolyte pellet, 1:1.5 · Pellet

4.0 mm solid-state NMR probe at 233.2 MHz; samples packed under Ar; T1 fitted by Equation S4.

Geometry: solid-state NMR rotor
Context: guest-loaded MOF or composite electrolyte
Measurement source: SI p.S-47 · 7Li MAS NMR · Table S8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
7Li spin-lattice relaxation time T1	1.13 s	—	—	SI Table Exact Reported	SI p.S-48 · 7Li MAS NMR · Table S8

1H and 19F quantitative NMR

Nuclear magnetic resonance

Li@HKUST-1 particles · Powder

Li@MOF particles dissolved with DCl in DMSO-d6; FEC internal standard used to quantify LiTFSI and DME.

Geometry: solution NMR after digestion
Context: guest-loaded MOF particle
Measurement source: SI pp.S-36-S-38 · Composition of Li@MOF particles · Table S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
DME residue uptake	22.64 wt%	—	—	SI Table Exact Reported	SI p.S-36 · Composition of Li@MOF particles · Table S4
LiTFSI concentration in Li@MOF	0.65 mol kg-1	—	—	SI Table Exact Reported	SI p.S-38 · Composition of Li@MOF particles · Table S5
LiTFSI uptake	2.6 wt%	—	—	SI Table Exact Reported	SI p.S-38 · Composition of Li@MOF particles · Table S5
LiTFSI/DME molar ratio	1:28.0	—	—	SI Table Exact Reported	SI p.S-38 · Composition of Li@MOF particles · Table S5
LiTFSI+DME total uptake	25.22 wt%	—	—	SI Table Exact Reported	SI p.S-38 · Composition of Li@MOF particles · Table S5

1H and 19F quantitative NMR

Nuclear magnetic resonance

Li@Mg-MOF-74 particles · Powder

Li@MOF particles dissolved with DCl in DMSO-d6; FEC internal standard used to quantify LiTFSI and DME.

Geometry: solution NMR after digestion
Context: guest-loaded MOF particle
Measurement source: SI p.S-81 · Composition of Li@MOF particles · Table S11

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
LiTFSI concentration in Li@MOF	1.11 mol kg-1	—	—	SI Table Exact Reported	SI p.S-81 · Composition of Li@MOF particles · Table S11
LiTFSI uptake	6.79 wt%	—	—	SI Table Exact Reported	SI p.S-81 · Composition of Li@MOF particles · Table S11
LiTFSI/DME molar ratio	1:13.74	—	—	SI Table Exact Reported	SI p.S-81 · Composition of Li@MOF particles · Table S11
LiTFSI+DME total uptakeMarked as a best value within this paper	36.07 wt%	—	—	SI Table Exact Reported	SI p.S-81 · Composition of Li@MOF particles · Table S11

1H and 19F quantitative NMR

Nuclear magnetic resonance

Li@MOF-5 particles · Powder

Li@MOF particles dissolved with DCl in DMSO-d6; FEC internal standard used to quantify LiTFSI and DME.

Geometry: solution NMR after digestion
Context: guest-loaded MOF particle
Measurement source: SI pp.S-36-S-38 · Composition of Li@MOF particles · Table S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
DME residue uptake	15.85 wt%	—	—	SI Table Exact Reported	SI p.S-36 · Composition of Li@MOF particles · Table S4
LiTFSI concentration in Li@MOF	0.54 mol kg-1	—	—	SI Table Exact Reported	SI p.S-38 · Composition of Li@MOF particles · Table S5
LiTFSI uptake	3.98 wt%	—	—	SI Table Exact Reported	SI p.S-38 · Composition of Li@MOF particles · Table S5
LiTFSI/DME molar ratio	1:12.64	—	—	SI Table Exact Reported	SI p.S-38 · Composition of Li@MOF particles · Table S5
LiTFSI+DME total uptake	19.84 wt%	—	—	SI Table Exact Reported	SI p.S-38 · Composition of Li@MOF particles · Table S5

1H and 19F quantitative NMR

Nuclear magnetic resonance

Li@Zn-MOF-74 particles · Powder

Li@MOF particles dissolved with DCl in DMSO-d6; FEC internal standard used to quantify LiTFSI and DME.

Geometry: solution NMR after digestion
Context: guest-loaded MOF particle
Measurement source: SI pp.S-36-S-38 · Composition of Li@MOF particles · Table S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
DME residue uptake	20.06 wt%	—	—	SI Table Exact Reported	SI p.S-36 · Composition of Li@MOF particles · Table S4
LiTFSI concentration in Li@MOFMarked as a best value within this paper	2.61 mol kg-1	—	—	SI Table Exact Reported	SI p.S-38 · Composition of Li@MOF particles · Table S5
LiTFSI uptakeMarked as a best value within this paper	14.99 wt%	—	—	SI Table Exact Reported	SI p.S-38 · Composition of Li@MOF particles · Table S5
LiTFSI/DME molar ratio	1:4.26	—	—	SI Table Exact Reported	SI p.S-38 · Composition of Li@MOF particles · Table S5
LiTFSI+DME total uptake	35.04 wt%	—	—	SI Table Exact Reported	SI p.S-38 · Composition of Li@MOF particles · Table S5

Zn K-edge XANES

X-ray absorption spectroscopy

Li@MOF-5 particles · Powder

Same XANES comparison for MOF-5 with no open Zn2+ sites.

Geometry: powder
Context: guest-loaded MOF particle
Measurement source: article p.8 · Solvation Structures · Figure 5i

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Zn K-edge E0 shift vs activated MOF-5	+0.3 eV	—	—	Text Rounded Reported	article p.8 · Solvation Structures · Figure 5i

Zn K-edge XANES

X-ray absorption spectroscopy

Li@Zn-MOF-74 particles · Powder

EasyXAFS300+; 9500-9800 eV; Zn foil calibration; first derivative used to compare E0.

Geometry: powder in BN/Kapton sample holder
Context: guest-loaded MOF particle
Measurement source: SI p.S-8 · XANES analysis

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Zn K-edge E0 shift vs activated Zn-MOF-74Marked as a best value within this paper	+1.2 eV	—	—	Text Rounded Reported	article p.8 · Solvation Structures · Figure 5g