Spectroscopy — A one-dimensional conductive metal-organic framework with extended π-d conjugated nanoribbon layers

5 measurement groups · 18 results

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

DDA-Cu MOF film · Thin Film

experimental HOMO/LUMO, electrical gap, optical gap and exciton binding energy

Measurement source: 5 · Band structure · Fig. 4a-c; Supplementary Figs. 23-24

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
exciton binding energy Eb	~0.3 eV	—	—	Text Approximate	5 · Band structure · Supplementary Fig. 24
electrical band gap EgMarked as a best value within this paper	0.49 eV	—	—	Text Exact Reported	5 · Band structure · Fig. 4c
indirect optical gap Egopt	0.19 eV	—	—	Text Exact Reported	5 · Band structure · Supplementary Fig. 23
HOMO offset below Ef	0.37 eV below Ef	—	—	Text Exact Reported	5 · Band structure · Fig. 4a
LUMO below vacuum level	4.40 eV below Evac	—	—	Text Exact Reported	5 · Band structure · Fig. 4b

DDA-Cu MOF crystals / bulk precipitate · Powder

DDA-Cu charged at -2 V or +1.4 V, compared with pristine DDA-Cu

Measurement source: 11-12 · Supplementary Fig. 20 text · Supplementary Fig. 20

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
reduced Cu0 XPS binding energy	932.8 eV	—	—	Text Exact Reported	11 · Supplementary Fig. 20 text · Supplementary Fig. 20d
oxidised N imine binding energy	400.5 eV assigned to C=NH+-Cu	—	—	Text Exact Reported	12 · Supplementary Fig. 20 text · Supplementary Fig. 20e
Cu2+ to Cu+ reduction peak	-0.84 V	—	—	Text Exact Reported	11 · Supplementary Fig. 20 text · Supplementary Fig. 20a
Cu+ to Cu0 reduction peak	-1.52 V	—	—	Text Exact Reported	11 · Supplementary Fig. 20 text · Supplementary Fig. 20a

DDA-Cu MOF crystals / bulk precipitate · Powder

Cu content in DDA-Cu

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu content measured	30.05%	—	—	Text Exact Reported	4 · Results - Synthesis and characterization
Cu content theoretical	32.5%	—	—	Text Exact Reported	4 · Results - Synthesis and characterization

DDA-Cu MOF crystals / bulk precipitate · Powder

Cu oxidation-state and local coordination analysis

Measurement source: 3-4 · Results - Synthesis and characterization · Fig. 2d,e

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu oxidation-state assignment	Cu2+ species in MOF	—	—	Qualitative Qualitative	3 · Results - Synthesis and characterization · Fig. 2d
Cu coordination number	4	—	—	Text Exact Reported	4 · Results - Synthesis and characterization · Fig. 2e
Cu-N distance	1.96 A	—	—	Text Exact Reported	4 · Results - Synthesis and characterization · Fig. 2e
Cu-O distance	1.82 A	—	—	Text Exact Reported	4 · Results - Synthesis and characterization · Fig. 2e

DDA-Cu MOF crystals / bulk precipitate · Powder

Cu 2p XPS; room-temperature EPR

Measurement source: 3 · Results - Synthesis and characterization · Supplementary Figs. 2-3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
EPR g value	g = 2.12	—	—	Text Exact Reported	3 · Results - Synthesis and characterization · Supplementary Fig. 3
Cu 2p1/2 binding energy	953.8 eV	—	—	Text Exact Reported	3 · Results - Synthesis and characterization · Supplementary Fig. 2a
Cu 2p3/2 binding energy	933.9 eV	—	—	Text Exact Reported	3 · Results - Synthesis and characterization · Supplementary Fig. 2a