Electrochemistry Application — Tailoring Li-ion Storage and Transport in Two-Dimensional Conjugated Metal-Organic Frameworks via Precise Nitrogen Incorporation

8 measurement groups · 66 results

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

CV, b-value analysis, Dunn analysis, GCD and cycling

Voltammetry Galvanostatic cycling

Cu-N2-OHBA composite working electrode · Electrode

Measurement source: 6 · Electrochemical Li-ion Storage · Figure 3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
b-value anodic	0.88	—	—	Text Exact Reported	7 · Electrochemical Li-ion Storage · Figure 3d
b-value cathodic	0.87	—	—	Text Exact Reported	7 · Electrochemical Li-ion Storage · Figure 3d
capacitive contribution at 100 mV s-1	73.3	—	—	Text Exact Reported	7 · Electrochemical Li-ion Storage · Figure S33
CV redox peak potentials	+/-0.35	—	—	Text Exact Reported	6 · Electrochemical Li-ion Storage · Figure S32
capacitive contribution at 2.0 mg cm-2 and 100 mV s-1	56.3	—	—	Figure Axis Exact Reported	46 · Figure S34 · Figure S34i
capacitive contribution at 0.5 mg cm-2 and 100 mV s-1	82.1	—	—	Figure Axis Exact Reported	46 · Figure S34 · Figure S34g
electrochemical potential window	-0.5 to 0.5	—	—	Text Exact Reported	6 · Electrochemical Li-ion Storage · Figure 3

galvanostatic charge-discharge

Galvanostatic cycling

Cu-N2-OHBA composite working electrode · Electrode

three-electrode Li2SO4 electrolyte; variable current density; -0.5 to 0.5 V

Temperature: 298
Atmosphere: aqueous Li2SO4
Geometry: carbon paper working electrode
Context: composite electrode with pristine MOF active component
Measurement source: 7-8 · Electrochemical Li-ion Storage · Figure 3e,g,h

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
capacitance retention after 1000 cycles at 1.0 A g-1	77	—	—	Text Exact Reported	8 · Electrochemical Li-ion Storage · Figure 3h
energy density at 0.5 A g-1	26.94	—	—	Text Exact Reported	7 · Electrochemical Li-ion Storage · Figure 3e-f
GCD capacitance at 0.5 A g-1	194	—	—	Figure Axis Exact Reported	7 · Figure 3 · Figure 3e-f
GCD capacitance at 10.0 A g-1	20	—	—	Figure Axis Exact Reported	7 · Figure 3 · Figure 3e-f
GCD capacitance at 1.0 A g-1	91	—	—	Figure Axis Exact Reported	7 · Figure 3 · Figure 3e-f
GCD capacitance at 2.0 A g-1	59	—	—	Figure Axis Exact Reported	7 · Figure 3 · Figure 3e-f
GCD capacitance at 5.0 A g-1	34	—	—	Figure Axis Exact Reported	7 · Figure 3 · Figure 3e-f
power density at 0.5 A g-1	249.9	—	—	Text Exact Reported	7 · Electrochemical Li-ion Storage · Figure 3e-f
specific capacitance at 0.5 A g-1	194	—	—	Text Exact Reported	7 · Electrochemical Li-ion Storage · Figure 3e-f

potential-dependent FTIR, XPS and ICP-OES

Infrared spectroscopy X-ray photoelectron spectroscopy Bulk elemental and compositional analysis

Cu-N2-OHBA composite working electrode · Electrode

Measurement source: 8 · Electrochemical Li-ion Storage · Figure 4; Figures S35-S38; Table S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu(II)/Cu(I) ratio charged at 0.5 V	11.23	—	—	Text Exact Reported	8 · Electrochemical Li-ion Storage · Figure 4b-c; Figure S36
Cu(II)/Cu(I) ratio discharged at -0.5 V	2.17	—	—	Text Exact Reported	8 · Electrochemical Li-ion Storage · Figure 4b-c; Figure S36
Cu(II)/Cu(I) ratio pristine	4.17	—	—	Text Exact Reported	8 · Electrochemical Li-ion Storage · Figure 4b-c; Figure S36
Li/Cu molar ratio charged_0p5v	0.99	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5
Li/Cu molar ratio discharged_minus0p5v	1.76	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5
Li/Cu molar ratio pristine	0	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5
measured Cu content charged_0p5v	119.8	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5
measured Cu content discharged_minus0p5v	89.3	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5
measured Cu content pristine	115.6	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5
measured Li content charged_0p5v	13.0	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5
measured Li content discharged_minus0p5v	17.2	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5
measured Li content pristine	0	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5
pyridinic N fraction charged	39.8	—	—	Text Exact Reported	8 · Electrochemical Li-ion Storage · Figure 4d
pyridinic N fraction discharged	20.6	—	—	Text Exact Reported	8 · Electrochemical Li-ion Storage · Figure 4d
pyridinic N fraction pristine	25.6	—	—	Text Exact Reported	8 · Electrochemical Li-ion Storage · Figure 4d
potential-dependent carbonyl FTIR feature	C=O peak around 1700 cm-1 at 0.5 V vanishes at -0.5 V	—	—	Text Exact Reported	8 · Electrochemical Li-ion Storage · Figure 4a; Figure S35

PXRD after thermal/solvent treatments and TGA

X-ray diffraction and scattering Thermogravimetric analysis

Cu-N2-OHBA bulk powder crystals · Powder

Measurement source: 5 · Material Synthesis and Characterization · Figures S21-S24

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
TGA mass at 250 degC	88.4%	—	—	Figure Axis Exact Reported	30 · 4.3. Thermogravimetric analysis · Figure S23a
thermal stability threshold	up to 250 degC	—	—	Text Exact Reported	5 · Material Synthesis and Characterization · Figure S23
chemical stability	maintain structural integrity in neutral organic solvents; decompose or amorphise in strong acid/base	—	—	Qualitative Qualitative	5 · Material Synthesis and Characterization · Figure S24
chemical stability in neutral organic solvents	retains structural integrity in DMF, methanol and dichloromethane	—	—	Text Qualitative	5 · Material Synthesis and Characterization · Figure S24
TGA residual mass at 700 C	around 50% for both samples	—	—	Text Approximate	5 · Material Synthesis and Characterization · Figure S23

CV, b-value analysis, Dunn analysis, GCD and cycling

Voltammetry Galvanostatic cycling

Cu-N4-OHBA composite working electrode · Electrode

Measurement source: 6 · Electrochemical Li-ion Storage · Figure 3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
b-value anodic	0.98	—	—	Text Exact Reported	7 · Electrochemical Li-ion Storage · Figure 3d
b-value cathodic	0.95	—	—	Text Exact Reported	7 · Electrochemical Li-ion Storage · Figure 3d
capacitive contribution at 100 mV s-1	80.4	—	—	Text Exact Reported	7 · Electrochemical Li-ion Storage · Figure S33
CV redox peak potentials	-0.30 and 0.08	—	—	Text Exact Reported	6 · Electrochemical Li-ion Storage · Figure S32
electrochemical potential window	-0.5 to 0.5	—	—	Text Exact Reported	6 · Electrochemical Li-ion Storage · Figure 3

galvanostatic charge-discharge

Galvanostatic cycling

Cu-N4-OHBA composite working electrode · Electrode

three-electrode Li2SO4 electrolyte; variable current density; -0.5 to 0.5 V

Temperature: 298
Atmosphere: aqueous Li2SO4
Geometry: carbon paper working electrode
Context: composite electrode with pristine MOF active component
Measurement source: 8 · Electrochemical Li-ion Storage · Figure 3f,g,h

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
capacitance retention after 1000 cycles at 1.0 A g-1	60	—	—	Text Exact Reported	8 · Electrochemical Li-ion Storage · Figure 3h
energy density at 0.5 A g-1	44.86	—	—	Text Exact Reported	8 · Electrochemical Li-ion Storage · Figure 3e-f
GCD capacitance at 0.5 A g-1	323	—	—	Figure Axis Exact Reported	7 · Figure 3 · Figure 3e-f
GCD capacitance at 10.0 A g-1	100	—	—	Figure Axis Exact Reported	7 · Figure 3 · Figure 3e-f
GCD capacitance at 1.0 A g-1	234	—	—	Figure Axis Exact Reported	7 · Figure 3 · Figure 3e-f
GCD capacitance at 2.0 A g-1	178	—	—	Figure Axis Exact Reported	7 · Figure 3 · Figure 3e-f
GCD capacitance at 5.0 A g-1	135	—	—	Figure Axis Exact Reported	7 · Figure 3 · Figure 3e-f
power density at 0.5 A g-1	249.61	—	—	Text Exact Reported	8 · Electrochemical Li-ion Storage · Figure 3e-f
specific capacitance at 0.5 A g-1	323	—	—	Text Exact Reported	8 · Electrochemical Li-ion Storage · Figure 3e-f

potential-dependent FTIR, XPS and ICP-OES

Infrared spectroscopy X-ray photoelectron spectroscopy Bulk elemental and compositional analysis

Cu-N4-OHBA composite working electrode · Electrode

Measurement source: 8 · Electrochemical Li-ion Storage · Figure 4; Figures S35-S38; Table S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu(II)/Cu(I) ratio charged at 0.5 V	9.09	—	—	Text Exact Reported	8 · Electrochemical Li-ion Storage · Figure 4b-c; Figure S36
Cu(II)/Cu(I) ratio discharged at -0.5 V	1.82	—	—	Text Exact Reported	8 · Electrochemical Li-ion Storage · Figure 4b-c; Figure S36
Cu(II)/Cu(I) ratio pristine	3.45	—	—	Text Exact Reported	8 · Electrochemical Li-ion Storage · Figure 4b-c; Figure S36
Li/Cu molar ratio charged_0p5v	0.78	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5
Li/Cu molar ratio discharged_minus0p5v	2.28	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5
Li/Cu molar ratio pristine	0	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5
measured Cu content charged_0p5v	83.8	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5
measured Cu content discharged_minus0p5v	70.0	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5
measured Cu content pristine	79.3	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5
measured Li content charged_0p5v	10.1	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5
measured Li content discharged_minus0p5v	17.4	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5
measured Li content pristine	0	—	—	Table Exact Reported	54 · Section 7. Charge storage mechanism · Table S5

PXRD after thermal/solvent treatments and TGA

X-ray diffraction and scattering Thermogravimetric analysis

Cu-N4-OHBA bulk powder crystals · Powder

Measurement source: 5 · Material Synthesis and Characterization · Figures S21-S24

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
TGA mass at 350 degC	93.0%	—	—	Figure Axis Exact Reported	30 · 4.3. Thermogravimetric analysis · Figure S23b
thermal stability threshold	up to 350 degC	—	—	Text Exact Reported	5 · Material Synthesis and Characterization · Figure S23
chemical stability in strong acid/base	decomposes or becomes amorphous in strong acid or base	—	—	Text Qualitative	5 · Material Synthesis and Characterization · Figure S24