Electrochemistry Application — A Computation-Guided Design of Highly Defined and Dense Bimetallic Active Sites on a Two-Dimensional Conductive Metal–Organic Framework for Efficient H2O2 Electrosynthesis

10 measurement groups · 40 results

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

H2O2 solution application tests

Ni-TCPP(Co)/CNT/Nafion on GDL flow-cell cathode · Electrode

dye degradation, chloramphenicol degradation, and S. aureus bactericidal test using electrosynthesised H2O2

Temperature: ~298
Context: application electrolyte after flow-cell electrolysis
Measurement source: S7-S8 · Dye decomposition; Bactericidal experiment · Figure S34-S36

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
S. aureus sterilisation rate	99.9% after 5 min electrolyte reaction at 50 mA cm-2	—	—	Text Exact Reported	7 · Figure 4 discussion · Figure 4i
chloramphenicol degradation	200 mg/L CAP degraded by in situ synthesised H2O2; assessed by HPLC	—	—	Caption Rounded Reported	S33 · Supplementary Figures · Figure S36
Methylene blue removal time	completely removing Methylene blue after 2 h	—	—	Text Rounded Reported	6 · Catalytic Performance · Figure S35
Rhodamine B removal time	completely removing Rhodamine B after 16 min	—	—	Text Rounded Reported	6 · Catalytic Performance · Figure 4h; Figure S34

three-electrode flow-cell H2O2 production in acid/saline

Ni-TCPP(Co)/CNT/Nafion on GDL flow-cell cathode · Electrode

0.1 M HClO4 + 3.6 wt% NaCl

Temperature: ~298
Atmosphere: O2
Geometry: GDL cathode
Context: composite flow-cell electrode
Measurement source: 6 · Catalytic Performance · Figure S32

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
FE in 0.1 M HClO4 + 3.6 wt% NaCl	~85.7%	—	—	Text Approximate	6 · Catalytic Performance · Figure S32
H2O2 yield in 0.1 M HClO4 + 3.6 wt% NaCl	6.4 mol g-1 h-1 at 40 mA cm-2	—	—	Text Exact Reported	6 · Catalytic Performance · Figure S32

three-electrode flow-cell H2O2 production in 1 M KOH

Ni-TCPP(Co)/CNT/Nafion on GDL flow-cell cathode · Electrode

GDL cathode, O2 100 mL/min, electrolyte 270 mL at 50 mL/min; potentials 0.1-0.6 V vs RHE

Temperature: ~298
Atmosphere: O2
Geometry: 1x1 cm2 cathode active area
Context: composite flow-cell electrode
Measurement source: S7 · Electrochemical tests in flow-cell

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
current density for Table S5 1 M KOH	110 mA cm-2	—	—	SI Table Exact Reported	S40 · Supplementary Tables · Table S5
Faradaic efficiency in 1 M KOH flow cell	~90%	—	—	Text Approximate	6 · Catalytic Performance · Figure S26
catalyst loading for Table S5 flow comparison	0.2 mg cm-2	—	—	SI Table Exact Reported	S40 · Supplementary Tables · Table S5
H2O2 production rate in 1 M KOHMarked as a best value within this paper	18.2 mol g-1 h-1 at 0.1 V vs RHE	—	—	Text Exact Reported	6 · Catalytic Performance · Figure 4a; Table S5
H2O2 yields for other M2-TCPP(Co) samples	below 14 mol g-1 h-1 at 0.1 V vs RHE	—	—	Text Approximate	6 · Catalytic Performance · Figure 4b
TOF for H2O2 electrosynthesisMarked as a best value within this paper	4.47 s-1	—	—	SI Table Exact Reported	S41 · Supplementary Tables · Table S6
TOF calculation FE assumption	FE = ~93% at 110 mA cm-2	—	—	Text Approximate	S42 · Supplementary note

three-electrode flow-cell H2O2 production in neutral electrolytes

Ni-TCPP(Co)/CNT/Nafion on GDL flow-cell cathode · Electrode

0.1/0.5 M Na2SO4 and 0.9/3.6 wt% or 1 M NaCl electrolytes

Temperature: ~298
Atmosphere: O2
Geometry: GDL cathode
Context: composite flow-cell electrode
Measurement source: 6 · Catalytic Performance · Figure 4d-f

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
H2O2 amount in 1 M NaCl 6 h test	~12.6 mmol	—	—	Text Approximate	6 · Catalytic Performance · Figure 4f
final H2O2 concentration in 1 M NaClMarked as a best value within this paper	14.3 g L-1	—	—	Text Exact Reported	6 · Catalytic Performance · Figure 4f
FE in 1 M NaCl at -0.4 V vs RHE	~87%	—	—	Text Approximate	6 · Catalytic Performance · Figure 4e
6 h 1 M NaCl stability current density	~115 mA cm-2	—	—	Text Approximate	6 · Catalytic Performance · Figure 4f
H2O2 yield in 1 M NaCl at -0.4 V vs RHE	~15.1 mol g-1 h-1 with FE ~87%	—	—	Text Approximate	6 · Catalytic Performance · Figure 4e
H2O2 yield in 1 M NaCl at -0.6 V vs RHEMarked as a best value within this paper	~18.0 mol g-1 h-1	—	—	Text Approximate	6 · Catalytic Performance · Figure S30
1 M NaCl 6 h yield rateMarked as a best value within this paper	~21.0 mol g-1 h-1	—	—	Text Approximate	6 · Catalytic Performance · Figure 4f

chronoamperometric stability and post-test characterisation

Chronoamperometry

Ni-TCPP(Co)/CNT/Nafion on GDL flow-cell cathode · Electrode

12 h in 1 M KOH at 0.1 V vs RHE; post-test XRD/TEM/XPS

Temperature: ~298
Atmosphere: O2
Geometry: flow cell
Context: composite flow-cell electrode
Measurement source: 6 · Catalytic Performance · Figure 4c; Figure S27-S29

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
post-test morphology/structure	XRD, TEM, and XPS remain the same after 12 h i-t in 1 M KOH	—	—	Qualitative Qualitative	6 · Catalytic Performance · Figure S28-S29
average production rate after 12 h	17.4 mol g-1 h-1	—	—	Text Exact Reported	6 · Catalytic Performance · Figure 4c; Figure S27
accumulated H2O2 concentration after 12 h	2.152 g L-1	—	—	Text Exact Reported	6 · Catalytic Performance · Figure 4c; Figure S27
12 h stability current density	~90 mA cm-2	—	—	Text Approximate	6 · Catalytic Performance · Figure 4c
12 h stability FE	80-85%	—	—	Text Range	6 · Catalytic Performance · Figure 4c
H2O2 generated after 12 h	20.9 mmol	—	—	Text Exact Reported	6 · Catalytic Performance · Figure 4c

H2O2 reduction reaction test by RRDE

Ni-TCPP(Co)/CNT/Nafion RRDE catalyst layer · Electrode

Ar-saturated 0.1 M KOH with 1 mM H2O2, 10 mV/s

Temperature: ~298
Atmosphere: Ar saturated
Context: composite electrode
Measurement source: S6 · Electrochemical Measurements · Figure S22

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
H2O2 reduction reaction current	<0.2 mA	—	—	Text Approximate	6 · Catalytic Performance · Figure S22

RRDE in 0.1 M HClO4

Ni-TCPP(Co)/CNT/Nafion RRDE catalyst layer · Electrode

acidic electrolyte; note possible Ni2O8 instability

Temperature: ~298
Atmosphere: O2 saturated
Context: composite electrode
Measurement source: S28 · Supplementary Figures · Figure S25

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
H2O2 selectivity in 0.1 M HClO4	>80% from 0.6 V to -0.2 V vs RHE	—	—	Text Approximate	6 · Catalytic Performance · Figure S25

RRDE LSV/selectivity in 0.1 M KOH

Voltammetry

Ni-TCPP(Co)/CNT/Nafion RRDE catalyst layer · Electrode

O2-saturated 0.1 M KOH, 1600 rpm, 10 mV/s, ring at 1.5 V vs RHE

Temperature: ~298
Atmosphere: O2 saturated
Geometry: RRDE disk area 0.2475 cm2; ring area 0.1866 cm2
Context: composite electrode
Measurement source: S6 · Electrochemical Measurements

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
limiting ring current	~0.23 mA	—	—	Text Approximate	5 · Catalytic Performance · Figure 3a
diffusion-limiting disk current density	approaching -3 mA cm-2	—	—	Text Approximate	5 · Catalytic Performance · Figure 3a
electron transfer number	between 2.0 and 2.2	—	—	Text Range	5 · Catalytic Performance · Figure S18
ORR onset potential	>0.75 V vs RHE at -0.1 mA cm-2	—	—	Text Approximate	5 · Catalytic Performance · Figure 3a
H2O2 selectivity in 0.1 M KOHMarked as a best value within this paper	96.5% at 0.2-0.65 V vs RHE	—	—	Text Exact Reported	5 · Catalytic Performance · Figure 3b; Table S4
H2O2 selectivity over alkaline range	>90% in 0-0.8 V vs RHE	—	—	Text Approximate	5 · Catalytic Performance · Figure 3b
Tafel slope for ring currentMarked as a best value within this paper	33.39 mV dec-1	—	—	Text Exact Reported	6 · Catalytic Performance · Figure 3c

RRDE LSV/selectivity analogue comparison

Voltammetry

M2-TCPP(Co)/CNT/Nafion RRDE analogue series · Electrode

M2-TCPP(Co) analogues in O2-saturated 0.1 M KOH

Temperature: ~298
Atmosphere: O2 saturated
Context: composite electrode
Measurement source: 5 · Catalytic Performance · Figure 3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
H2O2 selectivity of other M2-TCPP(Co) analogues	60%-80%	—	—	Text Range	5 · Catalytic Performance · Figure 3b
Ni-TCPP(Cu) H2O2 selectivity	>80%	—	—	Text Approximate	6 · Catalytic Performance · Figure S19

RRDE in neutral electrolytes

Ni-TCPP(Co)/CNT/Nafion RRDE catalyst layer · Electrode

0.9 wt% NaCl and 0.1 M Na2SO4 aqueous electrolytes

Temperature: ~298
Atmosphere: O2 saturated
Context: composite electrode
Measurement source: 6 · Catalytic Performance · Figure 3d,e

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
H2O2 selectivity in 0.1 M Na2SO4	91% at 0.35 V vs RHE	—	—	Text Exact Reported	6 · Catalytic Performance · Figure 3e; Table S4
H2O2 selectivity in 0.9 wt% NaClMarked as a best value within this paper	up to 94% at 0.28-0.39 V vs RHE	—	—	Text Exact Reported	6 · Catalytic Performance · Figure 3d,e; Table S4
neutral H2O2 selectivity across range	>85% between 0-0.4 V vs RHE	—	—	Text Approximate	6 · Catalytic Performance · Figure 3e