Spectroscopy — 2D Conductive Metal-Organic Frameworks Based on Tetraoxa[8]circulenes as Promising Cathode for Aqueous Zinc Ion Batteries

9 measurement groups · 39 results

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

elemental analysis and ICP-OES, Table S1

Bulk elemental and compositional analysis

Cu-TOC black powder / pressed pellet · Powder

Calculated and found C/H/N/Cu percentages for Cu-TOC formula assignment.

Geometry: powder
Context: pristine
Measurement source: p.16 · Supporting Tables · Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu-TOC calculated C content	Calcd. 41.01%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S1
Cu-TOC calculated Cu content	Calcd. 16.34%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S1
Cu-TOC calculated H content	Calcd. 2.33%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S1
Cu-TOC calculated N content	Calcd. 1.53%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S1
Cu-TOC found C content	Found 41.43%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S1
Cu-TOC found Cu content	Found 16.36%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S1
Cu-TOC found H content	Found 2.59%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S1
Cu-TOC found N content	Found 1.27%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S1

UPS

Ultraviolet photoelectron spectroscopy

Cu-TOC black powder / pressed pellet · Powder

Work function from secondary electron cut-off region; HOMO onset from valence band region.

Atmosphere: ultrahigh vacuum photoemission
Geometry: powder
Context: pristine
Measurement source: p.5 · 2.2. Structural Characterization and Properties of M-TOCs · Figure 3g

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu-TOC HOMO leading edge below Fermi levelMarked as a best value within this paper	∼0.12 eV below Fermi level	—	—	Text Approximate	p.5 · 2.2 · Figure 3g
Cu-TOC work functionMarked as a best value within this paper	4.85 eV	—	—	Text Exact Reported	p.5 · 2.2 · Figure 3g

Elemental analysis and ICP-OES

Bulk elemental and compositional analysis

Cu-TOC black powder / pressed pellet · Powder

C/H/N quantified by EA and metal content by ICP-OES; formulas compared with theory.

Geometry: powder
Context: pristine
Measurement source: p.4 · 2.2. Structural Characterization and Properties of M-TOCs · Tables S1-S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu-TOC composition formula	Cu2C12O12·0.85DMF·6H2O	—	—	Text Exact Reported	p.4 · 2.2 · Tables S1-S3
Mn-TOC composition formula	Mn2C12O12·0.84DMF·3H2O	—	—	Text Exact Reported	p.4 · 2.2 · Tables S1-S3
Zn-TOC composition formula	Zn2C12O12·0.7DMF·6H2O	—	—	Text Exact Reported	p.4 · 2.2 · Tables S1-S3

solid-state EPR

Electron paramagnetic resonance

Cu-TOC black powder / pressed pellet · Powder

EPR spectra collected at 90 K according to SI methods.

Temperature: 90
Geometry: powder
Context: pristine
Measurement source: p.4 · 2.2. Structural Characterization and Properties of M-TOCs · Figure S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu-TOC EPR g value	g = 2.141	—	—	Text Exact Reported	p.4 · 2.2 · Figure S3
Mn-TOC EPR g value	g = 2.018	—	—	Text Exact Reported	p.4 · 2.2 · Figure S3
Zn-TOC EPR g value	g = 2.015	—	—	Text Exact Reported	p.4 · 2.2 · Figure S3

XPS survey and high-resolution Cu 2p/Zn 2p/Mn 2p

X-ray photoelectron spectroscopy

Cu-TOC black powder / pressed pellet · Powder

Pristine M-TOC elemental and oxidation-state analysis.

Atmosphere: ultrahigh vacuum photoemission
Geometry: powder
Context: pristine
Measurement source: p.3 · 2.2. Structural Characterization and Properties of M-TOCs · Figure 3a-f

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu-TOC Cu2+ 2p3/2 binding energy	≈933.6 eV	—	—	Text Approximate	p.2 · 2.2 · Figure 3d
Mn-TOC Mn2+ 2p3/2 binding energy	≈641.1 eV	—	—	Text Approximate	p.3 · 2.2 · Figure 3f
Zn-TOC Zn2+ 2p3/2 binding energy	≈1022.2 eV	—	—	Text Approximate	p.3 · 2.2 · Figure 3e

elemental analysis and ICP-OES, Table S3

Bulk elemental and compositional analysis

Mn-TOC black powder / pressed pellet · Powder

Calculated and found C/H/N/Mn percentages for Mn-TOC formula assignment.

Geometry: powder
Context: pristine
Measurement source: p.16 · Supporting Tables · Table S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Mn-TOC calculated C content	Calcd. 43.85%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S3
Mn-TOC calculated H content	Calcd. 1.65%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S3
Mn-TOC calculated Mn content	Calcd. 18.0%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S3
Mn-TOC calculated N content	Calcd. 1.62%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S3
Mn-TOC found C content	Found 44.87%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S3
Mn-TOC found H content	Found 2.07%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S3
Mn-TOC found Mn content	Found 18.69%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S3
Mn-TOC found N content	Found 1.45%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S3

UPS

Ultraviolet photoelectron spectroscopy

Mn-TOC black powder / pressed pellet · Powder

Work function from secondary electron cut-off region; HOMO onset from valence band region.

Atmosphere: ultrahigh vacuum photoemission
Geometry: powder
Context: pristine
Measurement source: p.5 · 2.2. Structural Characterization and Properties of M-TOCs · Figure 3g

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Mn-TOC HOMO leading edge below Fermi level	∼0.37 eV below Fermi level	—	—	Text Approximate	p.5 · 2.2 · Figure 3g
Mn-TOC work function	4.69 eV	—	—	Text Exact Reported	p.5 · 2.2 · Figure 3g

elemental analysis and ICP-OES, Table S2

Bulk elemental and compositional analysis

Zn-TOC black powder / pressed pellet · Powder

Calculated and found C/H/N/Zn percentages for Zn-TOC formula assignment.

Geometry: powder
Context: pristine
Measurement source: p.16 · Supporting Tables · Table S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Zn-TOC calculated C content	Calcd. 41.83%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S2
Zn-TOC calculated H content	Calcd. 2.27%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S2
Zn-TOC calculated N content	Calcd. 1.31%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S2
Zn-TOC calculated Zn content	Calcd. 14.66%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S2
Zn-TOC found C content	Found 42.08%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S2
Zn-TOC found H content	Found 2.25%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S2
Zn-TOC found N content	Found 1.27%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S2
Zn-TOC found Zn content	Found 11.66%	—	—	SI Table Exact Reported	p.16 · Supporting Tables · Table S2

UPS

Ultraviolet photoelectron spectroscopy

Zn-TOC black powder / pressed pellet · Powder

Work function from secondary electron cut-off region; HOMO onset from valence band region.

Atmosphere: ultrahigh vacuum photoemission
Geometry: powder
Context: pristine
Measurement source: p.5 · 2.2. Structural Characterization and Properties of M-TOCs · Figure 3g

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Zn-TOC HOMO leading edge below Fermi level	∼0.20 eV below Fermi level	—	—	Text Approximate	p.5 · 2.2 · Figure 3g
Zn-TOC work function	4.71 eV	—	—	Text Exact Reported	p.5 · 2.2 · Figure 3g