Spectroscopy — Redox-Active Two-Dimensional Tetrathiafulvalene-Copper Metal-Organic Framework with Boosted Electrochemical Performances for Supercapatteries

5 measurement groups · 18 results

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

Iodine-treated crystals of 1 (1-ox) · Single Crystal

EPR spectra of 1, 1-ox and 1-ox' in the solid state, same parameters; figure caption states 110 K.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
strong EPR signal for 1-ox and 1-ox'	g = 2.019	—	—	Text Exact Reported	p003 / 4674 · 2.2. Characterizations · Figure 2a
weak Cu2+ EPR signal in pristine 1	g = 2.06	—	—	Text Rounded Reported	p003 / 4674 · 2.2. Characterizations · Figure 2a
weak TTF radical EPR signal in pristine 1	g = 2.008	—	—	Text Exact Reported	p003 / 4674 · 2.2. Characterizations · Figure 2a

1-ox working electrode · Electrode

XPS C 1s and Cu 2p3/2 spectra of 1-ox electrode in pristine, fully discharged and fully charged states after cycling.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C=C to C-C ratio after charge	3.1/1	—	—	Text Rounded Reported	p006 / 4677 · 2.3. Electrochemical Behaviors · Figure 5a
Cu 2p3/2 binding energy after charge/discharge	932.5 eV	—	—	Text Exact Reported	p006 / 4677 · 2.3. Electrochemical Behaviors · Figure 5b
C=C to C-C ratio after discharge	1.5/1	—	—	Text Rounded Reported	p006 / 4677 · 2.3. Electrochemical Behaviors · Figure 5a

Iodine-treated crystals of 1 (1-ox) · Single Crystal

TGA of 1, 1-ox and 1-ox' under nitrogen stream 100 mL min^-1 at 20 C min^-1.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
1-ox physisorbed iodine mass loss	14.5%	—	—	Text Exact Reported	p003 / 4674 · 2.2. Characterizations · Figure S6
1-ox I3- iodine mass loss before 230 C	20.6% before 230 C	—	—	Text Exact Reported	p003 / 4674 · 2.2. Characterizations · Figure S6
1-ox' I3- iodine mass loss before 250 C	23.3% before 250 C	—	—	Text Exact Reported	p003 / 4674 · 2.2. Characterizations · Figure S6
weight loss of pristine 1 before 300 C	0.7% at room temperature to 300 C	—	—	Text Rounded Reported	p003 / 4674 · 2.2. Characterizations · Figure S6
thermal stability of pristine 1	300 C	—	—	Text Rounded Reported	p003 / 4674 · 2.2. Characterizations · Figure S6
thermal stability of iodine-treated samples	230 C for 1-ox and 1-ox'	—	—	Text Rounded Reported	p003 / 4674 · 2.2. Characterizations · Figure S6

Iodine-treated crystals of 1 (1-ox) · Single Crystal

Room-temperature optical diffuse reflectance spectra converted to absorption using Kubelka-Munk function.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
TTF radical-cation NIR absorption enhancement	enhancement in 800-1100 nm region	—	—	Text Range	p004 / 4675 · 2.2. Characterizations · Figure 2c

Hexane-washed iodine-treated crystals of 1 (1-ox') · Single Crystal

XPS survey and deconvoluted Cu 2p, C 1s, N 1s, S 2p and I 3d spectra for 1-ox' compared with 1.

Atmosphere: XPS vacuum
Geometry: solid sample
Context: iodine-treated framework after washing
Measurement source: p003 / 4674 · 2.2. Characterizations · Figures S9 and S10

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C=C to C-C C 1s area ratio in pristine 1	3.8/1	—	—	Text Rounded Reported	p003 / 4674 · 2.2. Characterizations · Figures S9b and S10b
C=C to C-C C 1s area ratio in 1-ox'	3.2/1	—	—	Text Rounded Reported	p003 / 4674 · 2.2. Characterizations · Figures S9b and S10b
Cu 2p3/2 binding energy in iodine-treated sample	932.0 eV	—	—	Text Rounded Reported	p003 / 4674 · 2.2. Characterizations · Figures S9 and S10
I 3d3/2 binding energy in 1-ox'	630.7 eV	—	—	Text Exact Reported	p003 / 4674 · 2.2. Characterizations · Figure S9f
I 3d5/2 binding energy in 1-ox'	619.1 eV	—	—	Text Exact Reported	p003 / 4674 · 2.2. Characterizations · Figure S9f