Spectroscopy — Humidity-Mediated Dual Ionic-Electronic Conductivity Enables High Sensitivity in MOF Chemiresistors

3 measurement groups · 10 results

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

Diffuse reflectance infrared Fourier transform spectroscopy

Infrared spectroscopy

Cu3HHTT2 powder · Powder

4% sample in KBr; pre-activated at 120 C under Ar; RH controlled by dry and bubbler Ar streams at total 500 sccm; 64 scans, 4000-600 cm-1, 4 cm-1 resolution.

Atmosphere: Ar with controlled humidity
Context: pristine target framework
Measurement source: p005 / SI p.5 · S1.2 Methods · Figure 3a

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Water-related HOH scissoring mode	1635 cm-1	—	—	Text Exact Reported	p003 / article p.20215 · Results and Discussion · Figure 3a
DRIFTS water-band intensity maximum	approximately 23% RH	—	approximately	Text Approximate	p003 / article p.20215 · Results and Discussion · Figure 3a inset
Water-related O-H stretching band	centered around 3400 cm-1	—	around	Text Approximate	p003 / article p.20215 · Results and Discussion · Figure 3a

X-ray photoelectron spectroscopy

Cu3HHTT2 powder · Powder

Cu3HHTT2 powders drop-coated on Al substrate; PHI Versaprobe II with monochromatic Al anode; C1s calibrated to 284.4 eV.

Context: pristine target framework
Measurement source: p005 / SI p.5 · S1.2 Methods · Figure S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu+ 2p3/2 component	932.6 eV	—	—	Caption Exact Reported	p008 / SI p.8 · Section S3 · Figure S1
Cu mixed valence in pristine Cu3HHTT2	Cu exists as mixed valence states of Cu+ and Cu2+	—	—	Qualitative Qualitative	p002 / article p.20214 · Results and Discussion · Figure S1
O 1s adsorbed H2O peak	532.5 eV	—	—	Caption Exact Reported	p008 / SI p.8 · Section S3 · Figure S1

Ex situ XPS before and after NO2 dosing under humid condition

X-ray photoelectron spectroscopy

Cu3HHTT2-n drop-cast Au-interdigitated electrode sensors · Electrode

Cu 2p and N 1s spectra of pristine Cu3HHTT2 and after dosing NO2 in humid condition.

Atmosphere: humid NO2 exposure
Geometry: drop-coated sensor/powder for XPS
Context: pristine framework after analyte exposure
Measurement source: p028-p029 / SI pp.28-29 · Section S6 · Figures S17 and S18

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu+/Cu2+ integrated peak ratio after NO2	0.20	—	—	Text Exact Reported	p006 / article p.20218 · NO2 Sensing · Figure S17
Cu+/Cu2+ integrated peak ratio before NO2	0.72	—	—	Text Exact Reported	p006 / article p.20218 · NO2 Sensing · Figure S17
NO3- N 1s peak after humid NO2 dosing	405.0 eV	—	—	Text Exact Reported	p006 / article p.20218 · NO2 Sensing · Figure S18
NO2- N 1s peak after humid NO2 dosing	402.4 eV	—	—	Text Exact Reported	p006 / article p.20218 · NO2 Sensing · Figure S18