Spectroscopy — A Monocrystalline Coordination Polymer with Multiple Redox Centers as a High-Performance Cathode for Lithium-Ion Batteries

3 measurement groups · 11 results

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

as-synthesised CuCA nanosheet powder · Nanosheet

Elemental composition of CuCA nanosheets.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C atomic percentage	52.82%	52.82 atomic %	—	Text Exact Reported	3 · Results and Discussion · Figure S3
Cl atomic percentage	12.07%	12.07 atomic %	—	Text Exact Reported	3 · Results and Discussion · Figure S3
Cu atomic percentage	6.46%	6.46 atomic %	—	Text Exact Reported	3 · Results and Discussion · Figure S3
O atomic percentage	28.65%	28.65 atomic %	—	Text Exact Reported	3 · Results and Discussion · Figure S3

CuCA composite electrode in liquid-electrolyte LIB coin cell · Electrode

Coin cells at 50 mA g-1 with Celgard 2400 and 1.0 M LiTFSI in DME/DOL; electrodes disassembled in Ar glovebox, washed with DME and dried.

Atmosphere: Ar glovebox for disassembly
Geometry: cycled cathode electrodes
Context: composite CuCA cathode after selected electrochemical states
Measurement source: 4 · Ex situ XPS, EPR and FT-IR tests · Figure 5b-c; Figure S13

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
pristine CuCA EPR g parallel	g_parallel (gz) = 2.30	2.3	—	Text Exact Reported	6 · Results and Discussion · Figure 5c
pristine CuCA EPR g perpendicular	g_perpendicular = 2.07	2.07	—	Text Exact Reported	6 · Results and Discussion · Figure 5c
C-O radical EPR signal after discharge	g = 2.002 at discharge to 2.1 V	2.002	—	Text Exact Reported	6 · Results and Discussion · Figure 5c
C...O FT-IR peaks after discharge to 1.7 V	1553, 1523 and 1427 cm-1	—	—	Text Exact Reported	6 · Results and Discussion · Figure S13
Cu reduction during discharge	Cu 2p3/2 shifts to 933.3 eV and Cu2+ satellites weaken/disappear on discharge	933.3 eV	—	Text Exact Reported	6 · Results and Discussion · Figure 5b

as-synthesised CuCA nanosheet powder · Nanosheet

FT-IR comparison of CA, K2CA and CuCA; Cu 2p XPS for Cu chemical state.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu 2p1/2 binding energy in pristine CuCA	954.4 eV	954.4 eV	—	Text Exact Reported	4 · Results and Discussion · Figure 3b
Cu 2p3/2 binding energy in pristine CuCA	934.7 eV	934.7 eV	—	Text Exact Reported	4 · Results and Discussion · Figure 3b