Electrochemistry Application — Mechanistic Evidence for Ligand-Centered Electrocatalytic Oxygen Reduction with the Conductive MOF Ni3(hexaiminotriphenylene)2

7 measurement groups · 23 results

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

Ni3(HITP)2 film on glassy carbon working electrode · Electrode

constant current I = -10 uA; pH varied from 13.5 to 9.5 in 0.10 M KOH with 1.0 M HClO4 under O2, then titrated back with 1.0 M KOH

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
fractional H+ order	[H+]^(1/6)	—	—	Text Rounded Reported	7727 · Results and Discussion · Figure 4
delta E / delta pH relationship for ORR H+ order	-22 mV dec^-1	—	—	Text Exact Reported	7727 · Results and Discussion · Figure 4
empirical ORR rate law	j = k0[O2][H+]^(1/6) exp(alpha E F / R T)	—	—	Text Qualitative	7728 · Results and Discussion

Ni(ISQ)2 dropcast on glassy carbon and ITO · Electrode

0.1 M KOH; SCE reference; Pt counter; N2 and O2 atmospheres; dropcast Ni(ISQ)2 on glassy carbon and ITO; electrodes not rotated

Atmosphere: N2 and O2
Geometry: dropcast molecular analogue on glassy carbon and ITO
Context: molecular analogue/control
Measurement source: S12 · Deposition of Ni(ISQ)2 onto the working electrodes · Figure S9

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni(ISQ)2 ORR activity	Ni(ISQ)2 showed no ORR activity under conditions mimicking Ni3(HITP)2	—	—	Text Qualitative	7730 · Results and Discussion · Figure S9

Ni3(HITP)2 film on glassy carbon working electrode · Electrode

pH 13 electrolyte; 5-100% O2/N2; held at -0.04 to -0.2 V vs Hg/HgO for 2 min each

Atmosphere: O2/N2 mixtures
Geometry: Ni3(HITP)2 film on glassy carbon working electrode
Context: pristine conductive MOF film
Measurement source: S4 · Determination of ORR order in [O2] in pH 13 · Figure S1a, Table S1a

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
O2-order slope at pH 13, E = 0.667 V vs RHE	0.78	—	—	SI Table Exact Reported	S13 · Additional Figures · Table S1a
O2-order slope at pH 13, E = 0.707 V vs RHE	0.88	—	—	SI Table Exact Reported	S13 · Additional Figures · Table S1a
O2-order slope at pH 13, E = 0.747 V vs RHE	0.83	—	—	SI Table Exact Reported	S13 · Additional Figures · Table S1a
O2-order slope at pH 13, E = 0.787 V vs RHE	0.84	—	—	SI Table Exact Reported	S13 · Additional Figures · Table S1a
O2-order slope at pH 13, E = 0.827 V vs RHE	0.72	—	—	SI Table Exact Reported	S13 · Additional Figures · Table S1a
O2 reaction order range at pH 13	0.78-0.88 over 0.667 to 0.787 V vs RHE	—	—	Text Range	7727 · Results and Discussion · Figure S1a

Ni3(HITP)2 film on glassy carbon working electrode · Electrode

pH 8 electrolyte; 10-100% O2/N2; held at -0.152 to -0.352 V vs Ag/AgCl for 2 min each

Atmosphere: O2/N2 mixtures
Geometry: Ni3(HITP)2 film on glassy carbon working electrode
Context: pristine conductive MOF film
Measurement source: S5 · Determination of ORR order in [O2] in pH 8 · Figure S1b, Table S1b

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
O2-order slope at pH 8, E = 0.320 V vs RHE	0.97	—	—	SI Table Exact Reported	S13 · Additional Figures · Table S1b
O2-order slope at pH 8, E = 0.340 V vs RHE	0.96	—	—	SI Table Exact Reported	S13 · Additional Figures · Table S1b
O2-order slope at pH 8, E = 0.370 V vs RHE	0.94	—	—	SI Table Exact Reported	S13 · Additional Figures · Table S1b
O2-order slope at pH 8, E = 0.420 V vs RHE	0.91	—	—	SI Table Exact Reported	S13 · Additional Figures · Table S1b
O2-order slope at pH 8, E = 0.470 V vs RHE	0.85	—	—	SI Table Exact Reported	S13 · Additional Figures · Table S1b
O2-order slope at pH 8, E = 0.520 V vs RHE	0.71	—	—	SI Table Exact Reported	S13 · Additional Figures · Table S1b
O2 reaction order at pH 8	also first-order in [O2] over 0.320 to 0.520 V vs RHE; Table S1b slopes 0.71-0.97	—	—	Text Range	7727 · Results and Discussion · Figure S1b

Ni3(HITP)2 film on glassy carbon working electrode · Electrode

O2 atmosphere; pH 13, pH 8 and pH 4 electrolytes; potentials referenced to RHE

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
ORR behaviour in acidic medium	not competent in acidic medium; catalytic current decreased with every cycle	—	—	Text Qualitative	7727 · Results and Discussion · Figure 2
ORR competence across alkaline pH	competent for ORR catalysis under all alkaline conditions (pH 8 and above); no loss in current density over 20 cycles above pH 8	—	—	Text Qualitative	7727 · Results and Discussion · Figure 2
ORR onset potential at j = -50 uA cm^-2Marked as a best value within this paper	0.82 V versus RHE	—	—	Text Exact Reported	7727 · Introduction

Ni3(HITP)2 film on glassy carbon working electrode · Electrode

CV under N2 over E = -1.1 to 0.7 V vs SCE at pH 13.6, 12.5, 11.8, 11.2, 10.6, 9.4 and 8.9

Atmosphere: N2
Geometry: Ni3(HITP)2-modified glassy carbon electrodes
Context: pristine conductive MOF film
Measurement source: S7-S8 · Probing the pH-dependent redox potentials · Figure S7, Figure S8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
pH-dependent MOF oxidation potential slopes	90-120 mV dec^-1	—	—	Text Range	7729 · Results and Discussion · Figure S8

Ni3(HITP)2 film on glassy carbon working electrode · Electrode

pH 13 and pH 8 electrolytes under O2; pH 8 potentiostatic measurements -100 to -290 mV vs Ag/AgCl with varying rotation speeds

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Tafel slope at pH 13	-128 mV dec^-1	—	—	Text Exact Reported	7727 · Results and Discussion · Figure 3
Tafel slope at pH 8	-124 mV dec^-1	—	—	Text Exact Reported	7727 · Results and Discussion · Figure 3