Measurement evidence
Quinone-Based Conducting Three-Dimensional Metal-Organic Framework as a Cathode Material for Lithium-Ion Batteries · Dong H., Gao H., Geng J. et al. · Journal of Physical Chemistry C · 2021 · 20814-20820
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
as-prepared (NBu4)2Fe2(DHBQ)3 powder/solid · Powder
Room-temperature X-band EPR spectrum of pristine MOF powder.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| DHBQ3- to DHBQ2- molar ratio | 2:1 | — | — | Text Rounded Reported | 20816 · Results and Discussion |
| EPR g-factor | 2.0041 | — | — | Text Exact Reported | 20816 · Results and Discussion · Figure S3 |
(NBu4)2Fe2(DHBQ)3/Super P/PVDF lithium-ion cathode electrode · Electrode
Ex situ FTIR, C 1s XPS and Fe 2p XPS after pristine, discharged to 1.5 V and charged to 3.5 V states.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| C=C vibration peak after discharge | 1463 cm-1 | — | — | Text Exact Reported | 20817 · Results and Discussion · Figure 3c |
| Out-of-plane C-H peak after discharge | 871 cm-1 | — | — | Text Exact Reported | 20817 · Results and Discussion · Figure 3c |
| C=O FTIR peak lost after discharge | 1489 cm-1 peak vanished after discharge to 1.5 V | — | — | Text Exact Reported | 20817 · Results and Discussion · Figure 3c |
| C-O FTIR peak after discharge | 1210 cm-1 | — | — | Text Exact Reported | 20817 · Results and Discussion · Figure 3c |
| C 1s C=O peak | 288.2 eV | — | — | Text Exact Reported | 20817 · Results and Discussion · Figure 3d |
| Extra first-cycle charge capacity assigned to NBu4+ extraction | about 22.2 mAh g-1 | — | — | Text Approximate | 20817 · Results and Discussion · Figure 3e |
as-prepared (NBu4)2Fe2(DHBQ)3 powder/solid · Powder
FTIR comparison of DHBQ precursor and as-prepared (NBu4)2Fe2(DHBQ)3 powder.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| C-H stretching range upper bound from NBu4+ | 2987 cm-1 | — | — | Text Range | 20815 · Results and Discussion · Figure 1b |
| C-H stretching range lower bound from NBu4+ | 2847 cm-1 | — | — | Text Range | 20815 · Results and Discussion · Figure 1b |
| MOF C=O stretching frequency after coordination | 1489 cm-1 | — | — | Text Exact Reported | 20815 · Results and Discussion · Figure 1b |
| DHBQ C=O stretching frequency before coordination | 1606 cm-1 | — | — | Text Exact Reported | 20815 · Results and Discussion · Figure 1b |
| DHBQ O-H band that disappears after coordination | broad peak centered at 3293 cm-1 | — | — | Text Exact Reported | 20815 · Results and Discussion · Figure 1b |
as-prepared (NBu4)2Fe2(DHBQ)3 powder/solid · Powder
High-resolution O 1s and Fe 2p spectra plus full XPS survey of pristine (NBu4)2Fe2(DHBQ)3.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Fe 2p1/2 binding energy | 723.1 eV | — | — | Text Exact Reported | 20816 · Results and Discussion · Figure 1c |
| Fe 2p3/2 binding energy | 709.4 eV | — | — | Text Exact Reported | 20816 · Results and Discussion · Figure 1c |
| Fe3+ shakeup satellite binding energy | 732.4 eV | — | — | Text Exact Reported | 20816 · Results and Discussion · Figure 1c |
| Fe3+ shakeup satellite binding energy | 715.7 eV | — | — | Text Exact Reported | 20816 · Results and Discussion · Figure 1c |
| O 1s C-OH peak position | 533.1 eV | — | — | Text Exact Reported | 20816 · Results and Discussion · Figure S1 |
| Elements detected by full XPS survey | Fe, C, N, and O detected | — | — | Qualitative Qualitative | 20816 · Results and Discussion · Figure S5 |