Electrochemistry Application — Mimicking the Electron Transport Chain and Active Site of [FeFe] Hydrogenases in One Metal-Organic Framework: Factors That Influence Charge Transport

8 measurement groups · 27 results

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

AcOH titration cyclic voltammetry

Voltammetry

PCN-700_NDI_FeFe MOF/carbon black/Nafion glassy-carbon electrode · Electrode

DMF with 0.5 M KPF6; scan rate 50 mV/s; increasing acetic acid; includes homogeneous linkers and MOF electrodes.

Geometry: solution and drop-cast MOF electrodes
Context: homogeneous models and composite MOF electrodes
Measurement source: p006 / article p.7996 · Electrochemical Characterization in the Presence of Acid · Figure 5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Homogeneous FeFe model shift at 10 mM AcOH	Delta Ep,c = 30 mV at 10 mM AcOH	—	—	Text Rounded Reported	p006 / article p.7996 · Electrochemical Characterization in the Presence of Acid · Figure 5b
PCN-700_NDI_FeFe second-wave anodic shift upon AcOH addition	Delta Ep,c = 70 mV	—	—	Text Rounded Reported	p006 / article p.7996 · Electrochemical Characterization in the Presence of Acid · Figure 5d
PCN-700_NDI_ta second-wave shift upon AcOH addition	45 mV to cathodic potentials	—	—	Text Rounded Reported	p006 / article p.7996 · Electrochemical Characterization in the Presence of Acid · Figure 5c
Tosylic acid effect on PCN-700_NDI_FeFe peak potentials	No observed change in peak potential	—	—	Caption Qualitative	p028 / SI p.28 · Tosylic acid addition · Figure S32

Integrated current from cyclic voltammetry

Voltammetry

PCN-700_NDI_FeFe MOF/carbon black/Nafion glassy-carbon electrode · Electrode

PCN-700_NDI_FeFe in DMF with 0.5 M KPF6; integration at 5 mV/s and 500 mV/s.

Geometry: drop-cast MOF/carbon black/Nafion on glassy carbon
Context: target composite electrode
Measurement source: p027 / SI p.27 · Integration of current · Figures S29-S30

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
PCN-700_NDI_FeFe first-wave charge at 500 mV/s	128 uC	—	—	Caption Rounded Reported	p027 / SI p.27 · Integration of current · Figure S30
PCN-700_NDI_FeFe second-wave charge at 500 mV/s	202 uC	—	—	Caption Rounded Reported	p027 / SI p.27 · Integration of current · Figure S30
PCN-700_NDI_FeFe first-wave charge at 5 mV/s	363 uC	—	—	Caption Rounded Reported	p027 / SI p.27 · Integration of current · Figure S29
PCN-700_NDI_FeFe second-wave charge at 5 mV/s	369 uC	—	—	Caption Rounded Reported	p027 / SI p.27 · Integration of current · Figure S29

Cyclic voltammetry

Voltammetry

[FeFe](dcbdt)(CO)6 homogeneous solution · Model

1 mM [FeFe](dcbdt)(CO)6 in DMF with 0.5 M KPF6; glassy carbon working electrode; scan rate 50 mV/s; potentials vs Fc+/0.

Atmosphere: Ar sparged
Geometry: solution-phase GC working electrode
Context: homogeneous model
Measurement source: p005 / article p.7995 · Electrochemical Characterization · Figure 3b, Figure S24

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
[FeFe](dcbdt)(CO)6 reduction potential	E1/2 = -1.23 V vs Fc+/0	—	—	Text Rounded Reported	p005 / article p.7995 · Electrochemical Characterization · Figure 3b, Figure S24

Cyclic voltammetry

Voltammetry

PCN-700_NDI_FeFe MOF/carbon black/Nafion glassy-carbon electrode · Electrode

MOF/carbon black/Nafion on glassy carbon; DMF with 0.5 M KPF6; scan rate 50 mV/s; potentials vs Fc+/0.

Geometry: drop-cast composite on glassy carbon
Context: composite electrode containing target MOF
Measurement source: p004 / article p.7994 · Electrochemical Characterization · Figure 3b

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
PCN-700_NDI_FeFe first reduction potential	E1/2 = -0.94 V vs Fc+/0	—	—	Text Rounded Reported	p004 / article p.7994 · Electrochemical Characterization · Figure 3b
PCN-700_NDI_FeFe second reduction potential	E1/2 = -1.34 V vs Fc+/0	—	—	Text Rounded Reported	p004 / article p.7994 · Electrochemical Characterization · Figure 3b
PCN-700_NDI_FeFe redox-addressable linker fractionMarked as a best value within this paper	as high as 25%	—	—	Text Approximate	p004 / article p.7994 · Electrochemical Characterization · Figure 3b
Spike-like first reduction width at half-height	70.5 mV at 50 mV s-1	—	—	Text Rounded Reported	p004 / article p.7994 · Electrochemical Characterization · Figure 3b

Cyclic voltammetry

Voltammetry

NDI-OMe homogeneous solution · Model

1 mM NDI-OMe in DMF with 0.5 M KPF6; glassy carbon working electrode; scan rate 50 mV/s; potentials vs Fc+/0.

Atmosphere: Ar sparged
Geometry: solution-phase GC working electrode
Context: homogeneous model
Measurement source: p004 / article p.7994 · Electrochemical Characterization · Figure 3, Figure S23

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
NDI-OMe first reduction potential	E1/2 = -0.92 V vs Fc+/0	—	—	Text Rounded Reported	p004 / article p.7994 · Electrochemical Characterization · Figure 3a, Figure S23
NDI-OMe second reduction potential	E1/2 = -1.35 V vs Fc+/0	—	—	Text Rounded Reported	p004 / article p.7994 · Electrochemical Characterization · Figure 3a, Figure S23

Cyclic voltammetry

Voltammetry

PCN-700_NDI_ta MOF/carbon black/Nafion glassy-carbon electrode · Electrode

MOF/carbon black/Nafion on glassy carbon; DMF with 0.5 M KPF6; scan rate 50 mV/s; potentials vs Fc+/0.

Geometry: drop-cast composite on glassy carbon
Context: composite electrode containing pristine-control MOF
Measurement source: p004 / article p.7994 · Electrochemical Characterization · Figure 3a

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
PCN-700_NDI_ta first reduction potential	E1/2 = -0.99 V vs Fc+/0	—	—	Text Rounded Reported	p004 / article p.7994 · Electrochemical Characterization · Figure 3a
PCN-700_NDI_ta second reduction potential	E1/2 = -1.27 V vs Fc+/0	—	—	Text Rounded Reported	p004 / article p.7994 · Electrochemical Characterization · Figure 3a
PCN-700_NDI_ta redox-active linker fraction	approximately 12% of total linkers	—	—	Text Approximate	p004 / article p.7994 · Electrochemical Characterization · Figure 3a

Controlled potential electrolysis with GC headspace H2 detection

PCN-700_NDI_FeFe MOF/carbon black/Nafion carbon-mesh HER electrode · Electrode

Carbon mesh electrode in 0.1 M aqueous acetate buffer, pH 5, with 0.5 M KCl; Ar purge at least 30 min; -1 V vs Ag/AgCl for 2 h; 80 uL headspace injected into GC.

Atmosphere: Ar-purged and sealed electrolysis cell
Geometry: two-compartment H cell separated by glass frit; Pt coil counter electrode; Ag/AgCl reference
Context: target composite electrode and binder blank
Measurement source: p021 / SI p.21 · Electrolysis for HER · Figures S33-S35

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Controlled-potential electrolysis potential	-1 V vs Ag/AgCl	—	—	Text Exact Reported	p021 / SI p.21 · Electrolysis for HER
H2 evolved by carbon black/Nafion blank after 2 h electrolysis	13 nmol H2	—	—	Caption Rounded Reported	p029 / SI p.29 · Electrolysis and H2 Detection · Figure S34
H2 evolved by PCN-700_NDI_FeFe electrode after 2 h electrolysisMarked as a best value within this paper	400 nmol H2	—	—	Caption Rounded Reported	p029 / SI p.29 · Electrolysis and H2 Detection · Figure S34
Controlled-potential electrolysis time	2 hours / 7200 s	7200 s	—	Text Exact Reported	p021 / SI p.21 · Electrolysis for HER · Figure S33

Scan-rate-dependent cyclic voltammetry

Voltammetry

PCN-700_NDI_FeFe MOF/carbon black/Nafion glassy-carbon electrode · Electrode

DMF with 0.5 M KPF6; variable scan rates from 5 to 1000 mV/s.

Geometry: drop-cast MOF/carbon black/Nafion on glassy carbon
Context: target composite electrode
Measurement source: p025 / SI p.25 · Scan rate analysis of modified MOFs · Figures S26-S28

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
PCN-700_NDI_FeFe scan-rate range	5 to 1000 mV s-1	—	—	Caption Range	p025 / SI p.25 · Scan rate analysis · Figure S26
First reduction high-scan log-log slope	slope = 0.51	—	—	Figure Axis Rounded Reported	p026 / SI p.26 · Double logarithm plots · Figure S27
First reduction low-scan log-log slope	slope = 0.77	—	—	Figure Axis Rounded Reported	p026 / SI p.26 · Double logarithm plots · Figure S27
Second reduction high-scan log-log slope	slope = 0.58	—	—	Figure Axis Rounded Reported	p026 / SI p.26 · Double logarithm plots · Figure S28
Second reduction low-scan log-log slope	slope = 0.83	—	—	Figure Axis Rounded Reported	p026 / SI p.26 · Double logarithm plots · Figure S28