XRD and FTIR
Ni3(HITP)2 after Li-S cell cycling/discharge · Powder
XRD before/after cycling and FTIR of pristine and discharged Ni3(HITP)2.
- Geometry
- powder recovered from cell
- Context
- post-cycling/post-discharging MOF
- Measurement source
- main p.3, article p.11461 · Results and Discussion · Fig. S7
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|
| FTIR asymmetric O=S=O vibration | 1235 cm-1 | — | — | Text Exact Reported | main p.3, article p.11461 · Results and Discussion · Fig. S7b |
| FTIR symmetric O=S=O vibration | 1074 cm-1 | — | — | Text Exact Reported | main p.3, article p.11461 · Results and Discussion · Fig. S7b |
| XRD stability after cycling | XRD before and after cycling is consistent with simulation. | — | — | Text Qualitative | main p.3, article p.11461 · Results and Discussion · Fig. S7a |
X-ray photoelectron spectroscopy
Ni3(HITP)2 after Li-S cell cycling/discharge · Powder
XPS of Ni3(HITP)2 before and after cycling, including survey, Ni 2p and S 2p spectra.
- Geometry
- powder recovered from cell
- Context
- post-cycling MOF
- Measurement source
- main p.3, article p.11461 · Results and Discussion · Fig. 3; Fig. S8
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|
| S 2p bridging sulfur peak | 164.7 eV | — | — | Text Exact Reported | main p.3, article p.11461 · Results and Discussion · Fig. 3b |
| S 2p polythionate peak | 169.7 eV | — | — | Text Exact Reported | main p.3, article p.11461 · Results and Discussion · Fig. 3b |
| XPS S 2p after cycling | 169.0 eV | — | — | Text Exact Reported | main p.3, article p.11461 · Results and Discussion · Fig. S8 |
| XPS S 2s after cycling | 229.0 eV | — | — | Text Exact Reported | main p.3, article p.11461 · Results and Discussion · Fig. S8 |
| Ni 2p red-curve binding-energy shift | 0.3 eV shift to lower energy | — | a little | Text Approximate | main p.3, article p.11461 · Results and Discussion · Fig. 3a |
| XPS C 1s peak | about 285 eV | — | about | Text Approximate | main p.3, article p.11461 · Results and Discussion · Fig. S8 |
| XPS N 1s peak | about 400 eV | — | about | Text Approximate | main p.3, article p.11461 · Results and Discussion · Fig. S8 |
| XPS Ni 2p peak | about 856 eV | — | about | Text Approximate | main p.3, article p.11461 · Results and Discussion · Fig. S8 |
| XPS O 1s peak | about 532 eV | — | about | Text Approximate | main p.3, article p.11461 · Results and Discussion · Fig. S8 |
| S 2p terminal sulfur peak | 163.4 eV | — | — | Text Exact Reported | main p.3, article p.11461 · Results and Discussion · Fig. 3b |
| S 2p thiosulfate peak | 168.2 eV | — | — | Text Exact Reported | main p.3, article p.11461 · Results and Discussion · Fig. 3b |