Spectroscopy — Chemical Vapor Deposition of Edge-on Oriented 2D Conductive Metal-Organic Framework Thin Films

3 measurement groups · 14 results

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

CVD Cu3(C6O6)2 thin film on SiO2/Si · Thin Film

Photocurrent spectrum sensitive to 0.62-3.1 eV; FT-IR tangential estimate affected by overlapping stretching bands.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Approximate optical band gap from FT-IR spectrum	0.21(8) eV	—	(8) eV as printed; interpreted as approximate uncertainty in last digit(s) but source notation is ambiguous	Caption Uncertain	SI S38 · Figure S30 caption · Figure S30
Photocurrent band-gap detection result	No bandgap observed within 0.62-3.1 eV measurement window	—	—	Caption Qualitative	SI S38 · Figure S30 caption · Figure S30

CVD Cu3(C6O6)2 thin film on SiO2/Si · Thin Film

XAFS at BL-12C Photon Factory; Fourier transform over k = 2-12 A-1; fitting in R = 1-3 A and 1-4 A.

Context: pristine thin film
Measurement source: SI S5 · X-ray absorption spectroscopy (XAS) · Figures S10-S14, Tables S2-S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
XAFS fit 1-3 A: Cu-C path 1	R = 2.65 +/- 0.07 A; degeneracy 3	—	+/- 0.07 A	SI Table Exact Reported	SI S20 · Table S2 · Table S2
XAFS fit 1-3 A: Cu-C path 2	R = 2.70 +/- 0.07 A; degeneracy 1	—	+/- 0.07 A	SI Table Exact Reported	SI S20 · Table S2 · Table S2
XAFS fit 1-3 A: Cu-O path 1	R = 1.92 +/- 0.02 A; degeneracy 2; sigma2 = 4.98 +/- 1.00 x 10-3 A2	—	+/- 0.02 A	SI Table Exact Reported	SI S20 · Table S2 · Table S2
XAFS fit 1-3 A: Cu-O path 2	R = 1.99 +/- 0.02 A; degeneracy 2	—	+/- 0.02 A	SI Table Exact Reported	SI S20 · Table S2 · Table S2
XAFS fit 1-3 A: Cu-O path 3	R = 2.79 +/- 0.20 A; degeneracy 1	—	+/- 0.20 A	SI Table Exact Reported	SI S20 · Table S2 · Table S2
XAFS fit 1-3 A: Cu-O-C path	R = 2.92 +/- 0.24 A; degeneracy 6	—	+/- 0.24 A	SI Table Exact Reported	SI S20 · Table S2 · Table S2
XAFS fit 1-4 A: interlayer Cu-Cu path	Cu-Cu R = 3.63 +/- 0.06 A; degeneracy 1	—	+/- 0.06 A	SI Table Exact Reported	SI S22 · Table S3 · Table S3
XAFS fit 1-4 A R-factor	R-factor: 0.018	—	—	Caption Exact Reported	SI S21 · Figure S14 caption · Figure S14
XANES oxidation-state assignment	Cu in Cu3(C6O6)2 is mainly Cu(II)	—	—	Text Qualitative	SI S5 · XANES analysis · Figure S10

CVD Cu3(C6O6)2 thin film on SiO2/Si · Thin Film

Cu 2p, C 1s, and O 1s deconvoluted spectra for Cu3(C6O6)2 and THQ reference.

Context: pristine thin film
Measurement source: SI S6 · X-ray photoelectron spectroscopy (XPS) · Figure S9

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
XPS C=O:C-O ratio from C 1s	C=O:C-O ratio of 1:1.15 in SI; main text says 1:1.5	—	—	Text Uncertain	SI S8 · Discussions of charge state · Figure S9
XPS Cu2+:Cu+ ratio	Cu2+:Cu+ ratio of 2:1	—	—	Text Rounded Reported	SI S8 · Discussions of charge state · Figure S9
Suggested framework charge	[Cu3(C6O6)2]2.2-	—	—	Calculated From Reported Approximate	SI S8-S9 · Discussions of charge state · Scheme S3