Spectroscopy — Insights into the electric double-layer capacitance of two-dimensional electrically conductive metal-organic frameworks

4 measurement groups · 8 results

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

Cu3(HHTP)2 composite film electrode · Electrode

Composite electrodes extracted in N2-filled glovebox and packaged air-tight after voltage holds or cycling.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
XANES after 10000 cycles at 0.1 A g-1	Significant positive-electrode structural change, lower-energy edge shift and ca. 8981 eV feature, indicating potential Cu(I) formation and lowered Cu-node symmetry.	—	—	Caption Qualitative	p019 · Figure S23 caption · Fig. S23
XANES after 30000 cycles at 1 A g-1	Minimal structural changes, no absorption-edge shift and minimal increase in 8981 eV feature after cycling 0-1 V at 1 A g-1 for 30000 cycles.	—	—	Caption Qualitative	p019 · Figure S22 caption · Fig. S22
positive electrode after 0.8-1.1 V holds	Positive electrodes held at 0.8 and 1.1 V show ca. 8981 eV feature without lower-energy edge shift, indicating coordination-environment change/lower symmetry.	—	—	Caption Approximate	p016 · Figure S18 caption · Fig. S18
negative electrode after 1.5 V hold	Absorption-edge shift to lower energy plus increased ca. 8981 eV feature indicates reduction to Cu(I).	—	—	Caption Approximate	p015 · Figure S17 caption · Fig. S17

pristine uncycled Cu3(HHTP)2 film electrode 1a · Electrode

Pristine uncycled Cu3(HHTP)2 composite film electrode; fitted with Cu(I) and Cu(II) standards.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu(I) fraction from LCF, pristine film 1a	Total weight of Cu(I) 0.226	22.6 %	low-quality fit caveat	SI Table Approximate	p022 · Table S2 · Table S2

pristine uncycled Cu3(HHTP)2 film electrode 1b · Electrode

Pristine uncycled Cu3(HHTP)2 composite film electrode; fitted with Cu(I) and Cu(II) standards.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu(I) fraction from LCF, pristine film 1b	Total weight of Cu(I) 0.223	22.3 %	low-quality fit caveat	SI Table Approximate	p022 · Table S2 · Table S2

as-synthesised Cu3(HHTP)2 powder · Powder

B18 beamline at Diamond Light Source; fluorescence yield; Cu metal energy calibration; Athena/Demeter analysis.

Atmosphere: powder/standard samples packaged air-tight; Cu(I) standards prepared in N2-filled glovebox
Context: pristine powder
Measurement source: p008 · X-ray absorption spectroscopy · Fig. 1c; Fig. S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
dominant Cu oxidation state in as-synthesised powder	Cu(II) dominant; little/no evidence for Cu(I), no peak at ca. 8981 eV.	—	—	Caption Qualitative	p005 · Figure S3 caption · Fig. S3
XANES structural-model agreement	Experimental Cu K-edge XANES shows better agreement with simulated near-eclipsed Cu3(HHTP)2 than with eclipsed structure.	—	—	Caption Qualitative	p002 · Figure 1 caption · Fig. 1c