Spectroscopy — Overcoming Diffusion Limitation of Faradaic Processes: Property-Performance Relationships of 2D Conductive Metal-Organic Framework Cu3(HHTP)2 for Reversible Lithium-Ion Storage

2 measurement groups · 6 results

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

Ex situ ATR-FTIR spectroscopy

Infrared spectroscopy

Flake-like Cu3(HHTP)2 composite electrode · Electrode

Cycled and washed as for sXAS; Bruker Alpha II in nitrogen-filled glovebox; ATR diamond IRE; 128 background and 64 sample scans; average of four locations.

Atmosphere: nitrogen-filled glovebox
Geometry: cycled composite electrode
Context: cycled composite electrode; flake morphology used as representative mechanism sample
Measurement source: S-7 · 1.6 Ex situ Fourier-Transform infrared spectroscopy · Figure 2e; Figure S17

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
New lithiated catecholate-related FTIR band	1250 cm-1	—	—	Text Exact Reported	p007 · Results and Discussion · Figure 2e
Tentative Cu-O stretch band	560 cm-1	—	—	Text Exact Reported	S-26 · 2.10 XAS and FTIR studies · Figure S17b
Semiquinone FTIR band	ca. 1430 cm-1	—	—	Text Approximate	p007 · Results and Discussion · Figure 2e; Figure S17a

Ex situ soft X-ray absorption spectroscopy

X-ray absorption spectroscopy

Flake-like Cu3(HHTP)2 composite electrode · Electrode

Two-electrode coin cells pre-cycled once at 100 mA g-1, 1.7-3.5 V, then charged/discharged to selected voltages with CCCV; TFY mode at BESSY II after inert transfer.

Atmosphere: argon/inert transfer; high-vacuum end station
Geometry: cycled composite electrode from Li metal coin cell
Context: cycled composite electrode; flake morphology used as representative mechanism sample
Measurement source: p006 to p007 · Results and Discussion · Figure 2c,d

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu+ L3-edge peak	934.7 eV assigned to Cu+	—	—	Text Exact Reported	p007 · Results and Discussion · Figure 2c
Cu2+ L3-edge peak	931.3 eV assigned to Cu2+	—	—	Text Exact Reported	p007 · Results and Discussion · Figure 2c
Reversible Cu redox during lithiationMarked as a best value within this paper	Cu2+/Cu+ intensity ratio decreases from 3.5 V to 1.7 V and increases upon de-lithiation	—	—	Qualitative Qualitative	p007 · Results and Discussion · Figure 2c