Spectroscopy — Structure–Property Engineering of Redox-Active Tetrathiafulvalene- and Bipyridine-Based Metal–Organic Frameworks for Battery Cathodes

4 measurement groups · 6 results

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

TTF-hybrid-MOF powder/crystals · Powder

Shimadzu IRAffinity-1S, 599.8618-4000.364 cm^-1, RT

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C-N stretching band	~1250 cm^-1 for TTF-hybrid-MOF and 1,2-bis(4-pyridyl)ethane	—	—	Text Approximate	S4 · Figure S4
S-C stretching band	~1020 cm^-1	—	—	Text Approximate	S4 · Figure S4

TTF-hybrid-MOF cathode · Electrode

BL14B2 SPring-8; transmission mode; BN-diluted pellets; Athena normalization

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cd redox participation	little Cd K-edge shift; Cd centres undergo negligible redox reactions	—	—	Text Qualitative	9 · Figure S22

TTF-hybrid-MOF cathode · Electrode

BL27SU SPring-8; 2450-2550 eV; PFY/TEY; vacuum about 10 Pa; pristine/charged/discharged states

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
initial S K-edge feature	dominant peak at ~2473 eV	—	—	Text Approximate	9 · Figure S21
oxidised sulfur XAS features	new features at ~2477 and ~2482 eV on charge	—	—	Text Approximate	9 · Figure S21

TTF-hybrid-MOF cathode · Electrode

JPS 9010MC; non-monochromatic Mg Kalpha, 1253 eV; pristine, first charged to 4.2 V, and discharged to 1.0 V

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
interphase layer formation	C 1s high-binding-energy components around ~290 eV increase after electrochemical cycling	—	—	Text Approximate	9 · Figure S24