Electrochemistry Application — Characterization of a copper phosphate triazole metal organic framework material (Cu3PO4(C2N3H 2)2OH) and oxygen evolution studies

5 measurement groups · 28 results

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

Energetic band-position calculation from optical gap, activation energy and flat-band potential

Sintered Cu3PO4(C2N3H2)2OH pellet electrode · Pellet

Band diagram drawn for Cu3PO4[C2N3H2]2OH/solution junction at pH ~7 versus SCE/vacuum references.

Geometry: Sintered pellet electrode in solution
Context: pristine framework pellet electrode
Measurement source: 5-6 · 3.2 Photoelectrochemistry; 3.3 Photocatalysis · Fig. 9

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Conduction-band energy versus vacuum	P = -4.71 eV	—	—	Calculated From Reported Exact Reported	5 · 3.2 Photoelectrochemistry
Conduction-band potential	-0.04 V vs SCE	—	—	Text Exact Reported	5 · 3.2 Photoelectrochemistry · Fig. 9
Valence-band energy versus vacuum	-7.29 eV = P - Eg	—	—	Calculated From Reported Exact Reported	5 · 3.2 Photoelectrochemistry
Valence-band hole potential	+2.54 V vs SCE	—	—	Text Exact Reported	5-6 · 3.3 Photocatalysis · Fig. 9

Cyclic intensity-potential J(E) photoelectrochemical characterisation

Photoresponse and photoelectrochemistry

Sintered Cu3PO4(C2N3H2)2OH pellet electrode · Pellet

Standard cell with Cu-MOF working electrode, saturated calomel reference electrode and Pt auxiliary electrode; pH ~7.

Atmosphere: Air unless otherwise specified; peak assignment notes disappearance in N2-saturated solution.
Geometry: Sintered pellet electrode projected area 1.32 cm2.
Context: pristine framework pellet electrode
Measurement source: 2,4 · 2.2 Characterization; 3.2 Photoelectrochemistry · Fig. 7

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Dark current stability limit	Jd smaller than 5 mA cm-2 over a fair potential range	—	<	Text Range	4 · 3.2 Photoelectrochemistry · Fig. 7
Peroxide-related cathodic peak	~ -0.8 V vs SCE	—	~	Text Approximate	4 · 3.2 Photoelectrochemistry · Fig. 7
Photocurrent onset	Jph starts to flow at -0.12 V	—	—	Text Exact Reported	4 · 3.2 Photoelectrochemistry · Figure not shown

Electrochemical impedance spectroscopy at open circuit potential

Impedance spectroscopy

Sintered Cu3PO4(C2N3H2)2OH pellet electrode · Pellet

Neutral solution pH ~7; frequency response used to separate bulk, grain-boundary and diffusion contributions; modelled with Zview.

Geometry: Sintered pellet electrode in neutral solution.
Context: pristine framework pellet electrode
Measurement source: 6-7 · 3.3 Photocatalysis · Fig. 11

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CPE homogeneity factor	p = 0.80	—	—	Text Exact Reported	6 · 3.3 Photocatalysis · Fig. 11
Interfacial/grain-boundary capacitance	78.75 microF cm-2	—	—	Text Exact Reported	6 · 3.3 Photocatalysis · Fig. 11
Depletion angle	theta = -17 degrees	—	—	Text Exact Reported	1,6 · Abstract; 3.3 Photocatalysis · Fig. 11
Minimum angular-frequency marker	omega_min = 244 Hz	—	—	Text Exact Reported	7 · 3.3 Photocatalysis · Fig. 11b
Grain-boundary resistance R1	19 ohm cm2	—	—	Text Exact Reported	6 · 3.3 Photocatalysis · Fig. 11
Electron lifetime	4.09 ms	—	—	Calculated From Reported Exact Reported	7 · 3.3 Photocatalysis · Eq. 10; Fig. 11b
Low-frequency Warburg slope	slope of 45 degrees at low frequencies	—	—	Text Exact Reported	6 · 3.3 Photocatalysis · Fig. 11

Mott-Schottky capacitance analysis

Mott-Schottky analysis

Sintered Cu3PO4(C2N3H2)2OH pellet electrode · Pellet

Mott-Schottky characteristic plotted at 10 kHz; response analyser with 10 mV perturbing signal over 10^-3-10^5 Hz used for capacitance measurements; pH ~7.

Geometry: Sintered pellet working electrode, SCE reference, Pt auxiliary electrode.
Context: pristine framework pellet electrode
Measurement source: 2,5 · 2.2 Characterization; 3.2 Photoelectrochemistry · Fig. 8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Majority-carrier type	n-type conductivity	—	—	Text Qualitative	4-5 · 3.2 Photoelectrochemistry · Fig. 8
Space-charge/depletion width	delta ~10 micrometre	—	~	Text Approximate	1,5 · Abstract; 3.2 Photoelectrochemistry
Electron densityMarked as a best value within this paper	ND = 2 x 10^15 cm-3	—	—	Text Exact Reported	1,5 · Abstract; 3.2 Photoelectrochemistry · Fig. 8
Flat-band potentialMarked as a best value within this paper	Efb = +0.40 V vs SCE	—	—	Text Exact Reported	1,5 · Abstract; 3.2 Photoelectrochemistry · Fig. 8

Visible-light photochemical oxygen evolution in Pyrex reactor with volumetric gas burette

Cu3PO4(C2N3H2)2OH photocatalyst suspension · Powder

100 mg catalyst in 250 mL fresh solution containing SO3 2- or S2O3 2- (10^-3 M); 50 +/- 1 C; 210 rpm stirring; three 200 W tungsten lamps emitting 400-800 nm.

Temperature: 323 +/- 1
Geometry: Suspended powder in stirred reactor; evolved oxygen measured volumetrically with inverted 50 mL gas burette.
Context: pristine framework powder suspension
Measurement source: 2,6 · 2.2 Characterization; 3.3 Photocatalysis · Fig. 10

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Corrosion potential	Ecorr = 105 mV	—	—	Text Exact Reported	5 · 3.3 Photocatalysis
Exchange current density	Jo = 57 microA cm-2	—	—	Text Exact Reported	5 · 3.3 Photocatalysis
Best oxygen-evolution liberation rateMarked as a best value within this paper	0.70 cm3 min-1 g-1	—	—	Text Exact Reported	1 · Abstract · Fig. 10
Oxygen-volume saturation time	~60 min	—	~	Text Approximate	6 · 3.3 Photocatalysis · Fig. 10
Oxygen volume at 60 min with thiosulfate	approximately 0.9 mL O2 at 60 min	—	visual estimate from plotted axis	Visual Estimate Approximate	6 · 3.3 Photocatalysis · Fig. 10
Oxygen volume at 60 min with sulfiteMarked as a best value within this paper	approximately 4.2 mL O2 at 60 min	—	visual estimate from plotted axis	Visual Estimate Approximate	6 · 3.3 Photocatalysis · Fig. 10
Oxygen volume at 60 min without KCl	approximately 1.2 mL O2 at 60 min	—	visual estimate from plotted axis	Visual Estimate Approximate	6 · 3.3 Photocatalysis · Fig. 10
Quantum yieldMarked as a best value within this paper	0.13%	—	—	Text Exact Reported	1,6 · Abstract; 3.3 Photocatalysis · Eq. 8; Fig. 10
Global reaction free energy	Delta G0 = 90.68 kcal mol-1	—	—	Text Exact Reported	1,6 · Abstract; 3.3 Photocatalysis
Solution stability window	stable only at neutral pH; dissolves in acid and alkaline media	—	—	Text Qualitative	5 · 3.3 Photocatalysis