Spectroscopy — A Pyrazine-Based 2D Conductive Metal-Organic Framework for Efficient Lithium Storage†

5 measurement groups · 11 results

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

TPQG-Cu-MOF composite cathode on carbon-coated aluminium foil · Electrode

Spectra collected at fresh, discharged to 1.3 V, and charged to 3.8 V states.

Geometry: electrode
Context: composite electrode with MOF active material
Measurement source: p004 / 1694 · Exploration of the lithium-ion storage mechanism · Figure 3a

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C=N FTIR peak during discharge	1710 cm-1 peak disappeared after discharge to 1.3 V and recovered after charge to 3.8 V	—	—	Text Exact Reported	p004 / 1694 · Exploration of the lithium-ion storage mechanism · Figure 3a
C-N FTIR peak during discharge	1262 cm-1 peak appeared after discharge to 1.3 V and disappeared after charge to 3.8 V	—	—	Text Exact Reported	p004 / 1694 · Exploration of the lithium-ion storage mechanism · Figure 3a

HCl digestion product of TPQG-Cu-MOF · Powder

HCl digestion product compared with TPQ-8OH and TPQG-8OH.

Geometry: solution
Context: digested MOF product and molecular controls
Measurement source: p002 / 1692 · Preparation and characterizations of materials · Figure S12

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Digestion product matches TPQG-8OH	NMR and UV spectra of digestion product almost identical to TPQG-8OH	—	—	Text Qualitative	p002 / 1692 · Preparation and characterizations of materials · Figure S12

As-synthesised TPQG-Cu-MOF black powder · Powder

UV-visible spectra measured on PerkinElmer Lambda 750 spectrometer.

Geometry: powder
Context: pristine framework
Measurement source: p013 / S12 · Section S3. The characterization of TPQG-Cu-MOF · Figure S17

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Optical band gapMarked as a best value within this paper	about 1.48 eV	—	—	Text Approximate	p003 / 1693 · Preparation and characterizations of materials · Figure S17

TPQG-Cu-MOF composite cathode on carbon-coated aluminium foil · Electrode

Li 1s, O 1s, N 1s, and Cu 2p spectra at fresh, discharged to 1.3 V, and charged to 3.8 V states.

Geometry: electrode
Context: composite electrode with MOF active material
Measurement source: p004 / 1694 · Exploration of the lithium-ion storage mechanism · Figure 3c-f

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu+ peak after discharge	Cu+ peak around 933.5 eV increased after discharge to 1.3 V	—	—	Text Exact Reported	p004 / 1694 · Exploration of the lithium-ion storage mechanism · Figure 3f
Cu2+ peak after discharge	Cu2+ peak around 935.8 eV decreased after discharge to 1.3 V	—	—	Text Exact Reported	p004 / 1694 · Exploration of the lithium-ion storage mechanism · Figure 3f
N 1s C-N peak	400.7 eV increased on discharge	—	—	Text Exact Reported	p004 / 1694 · Exploration of the lithium-ion storage mechanism · Figure 3e
N 1s C=N peak	399.8 eV decreased on discharge	—	—	Text Exact Reported	p004 / 1694 · Exploration of the lithium-ion storage mechanism · Figure 3e
N-Li XPS peak	398.4 eV new peak appeared on discharge	—	—	Text Exact Reported	p004 / 1694 · Exploration of the lithium-ion storage mechanism · Figure 3e

As-synthesised TPQG-Cu-MOF black powder · Powder

Thermo Scientific K-Alpha, Al Kalpha radiation, base pressure about 3 x 10-7 mbar; C 1s referenced to 284.8 eV.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Pristine Cu 2p Cu+ binding energy	933.6 eV	—	—	Text Exact Reported	p003 / 1693 · Preparation and characterizations of materials · Figure S15
Pristine Cu 2p Cu2+ binding energy	935.6 eV	—	—	Text Exact Reported	p003 / 1693 · Preparation and characterizations of materials · Figure S15