Spectroscopy — Two-Dimensional π-d Conjugated Conductive Metal-Organic Framework with Triple Active Centers as High-Performance Cathodes for Flexible Zinc Batteries

3 measurement groups · 20 results

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

FT-IR, Raman and XRD

Infrared spectroscopy Raman spectroscopy X-ray diffraction and scattering

Pristine 1D Cu-TABQ powder · Powder

Powder characterisation of 1D Cu-TABQ for comparison with 2D Cu-TABQ.

Context: pristine framework powder
Measurement source: main p.2 · Structural Characterization · Figure 1c-e

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
1D Cu-TABQ carbonyl stretching vibration	1583 cm-1	—	—	Text Exact Reported	main p.2 · Structural Characterization · Figure 1d

FT-IR, Raman, XPS, EPR and TEM-EDS mapping

Infrared spectroscopy Raman spectroscopy X-ray photoelectron spectroscopy Electron paramagnetic resonance Transmission electron microscopy Elemental microanalysis and mapping

Pristine 2D Cu-TABQ powder · Powder

Powder characterisation of 2D Cu-TABQ; instruments include Raman Bruker Senterra, FTIR Bruker Vertex 70 V, XPS Thermo ESCALAB 250Xi and EPR Bruker EMXplus-6/1.

Temperature: room temperature for EPR
Context: pristine framework powder
Measurement source: main p.3 · Structural Characterization · Figures 1d-e, 2a-c, S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
2D Cu-TABQ carbonyl stretching vibration	1694 cm-1	—	—	Text Exact Reported	main p.2 · Structural Characterization · Figure 1d
EPR g-factor for Cu2+ in 2D Cu-TABQ	g-factor of 2.102	—	—	Text Exact Reported	main p.3 · Structural Characterization · Figure 2b
EPR g-factor for ligand radicals in 2D Cu-TABQ	g-factor of 2.002	—	—	Text Exact Reported	main p.3 · Structural Characterization · Figure 2b
N 1s C=N peak in 2D Cu-TABQ	399.2 eV	—	—	Text Exact Reported	main p.3 · Structural Characterization · Figure S1
N 1s C-N peak in 2D Cu-TABQ	near 400 eV	—	—	Text Approximate	main p.3 · Structural Characterization · Figure S1
Cu+ Cu 2p binding energy in 2D Cu-TABQ	932.3 eV	—	—	Text Exact Reported	main p.3 · Structural Characterization · Figure 2a
Cu2+ Cu 2p binding energy in 2D Cu-TABQ	934.8 eV	—	—	Text Exact Reported	main p.3 · Structural Characterization · Figure 2a
Raman N-Cu peak higher position	430 cm-1	—	—	Text Exact Reported	main p.2 · Structural Characterization · Figure 1e
Raman N-Cu peak lower position	397 cm-1	—	—	Text Exact Reported	main p.2 · Structural Characterization · Figure 1e

Ex-situ FT-IR and ex-situ XPS during charge/discharge

Infrared spectroscopy X-ray photoelectron spectroscopy

2D Cu-TABQ composite cathode in CR2032 Zn cell · Electrode

2D Cu-TABQ electrode analysed at pristine, discharged and charged states to track C=O, C=N, C-O, C-N, Zn 2p and Cu 2p signatures.

Geometry: Electrode recovered from Zn cell
Context: cycled composite cathode containing 2D Cu-TABQ
Measurement source: main p.5 · Storage Mechanism · Figure 4, Figures S11-S12

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C 1s C=O peak in 2D Cu-TABQ	around 287.8 eV	—	—	Text Approximate	main p.5 · Storage Mechanism · Figure S12
C 1s C=N peak in 2D Cu-TABQ	around 286.3 eV	—	—	Text Approximate	main p.5 · Storage Mechanism · Figure S12
Cu+ binding energy after full discharge	932.9 eV	—	—	Text Exact Reported	main p.5 · Storage Mechanism · Figure 4d
Cu2+ binding energy before reduction during discharge	934.9 eV	—	—	Text Exact Reported	main p.5 · Storage Mechanism · Figure 4d
Ex-situ FT-IR C=N active-site band	1459 cm-1	—	—	Text Exact Reported	main p.5 · Storage Mechanism · Figure 4a
Ex-situ FT-IR C=O active-site band	1651 cm-1	—	—	Text Exact Reported	main p.5 · Storage Mechanism · Figure 4a
N 1s C-N binding energy after Zn insertion	400.1 eV	—	—	Text Exact Reported	main p.5 · Storage Mechanism · Figure 4b
N 1s C=N binding energy in storage mechanism	399.1 eV	—	—	Text Exact Reported	main p.5 · Storage Mechanism · Figure 4b
O 1s C=O binding energy in storage mechanism	532.8 eV	—	—	Text Exact Reported	main p.5 · Storage Mechanism · Figure 4c
O 1s C-O binding energy after Zn insertion	531.9 eV	—	—	Text Exact Reported	main p.5 · Storage Mechanism · Figure 4c