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

5 measurement groups · 28 results

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

galvanostatic discharge-charge with composite solid-state electrolyte film only

Galvanostatic cycling

CuCA composite electrode in quasi-solid-state LIB coin cell · Electrode

CuCA at 50 mA g-1 with PPC-PEO-LiTFSI-Al2O3 composite solid-state electrolyte film, apparently without added liquid electrolyte.

Geometry: coin cell
Context: composite cathode; solid-state-only electrolyte contact test
Measurement source: 5 · Results and Discussion · Figure S8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
solid-state-only CuCA capacity	near zero capacity, less than 0.2 mAh g-1 by figure scale	0.2 mAh g-1	upper-bound visual estimate	Visual Estimate Uncertain	12 · Results and Discussion · Figure S8

galvanostatic discharge-charge, cyclic voltammetry, rate capability, long-term cycling

Voltammetry Galvanostatic cycling

CuCA composite electrode in quasi-solid-state LIB coin cell · Electrode

CR2032 LIB cells, Li metal anode, PPC-PEO-LiTFSI-Al2O3 based quasi-solid-state electrolyte; voltage window 1.7-4.0 V; CV at 0.3 mV s-1.

Temperature: room temperature
Atmosphere: assembled with electrodes stored in Ar glove box
Geometry: coin cell; 10 mm cathode disc; 16 mm electrolyte film with 20 uL liquid electrolyte per side
Context: composite cathode with pristine CuCA active material
Measurement source: 4-5 · Results and Discussion · Figure 4a-e

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CV redox couple 1 oxidation potential	3.26 V	3.26 V vs Li+/Li	—	Text Exact Reported	4 · Results and Discussion · Figure 4b
CV redox couple 1 reduction potential	2.84 V	2.84 V vs Li+/Li	—	Text Exact Reported	4 · Results and Discussion · Figure 4b
CV redox couple 2 oxidation potential	2.51 V	2.51 V vs Li+/Li	—	Text Exact Reported	4 · Results and Discussion · Figure 4b
CV redox couple 2 reduction potential	2.16 V	2.16 V vs Li+/Li	—	Text Exact Reported	4 · Results and Discussion · Figure 4b
CV redox couple 3 oxidation potential	2.12 V	2.12 V vs Li+/Li	—	Text Exact Reported	4 · Results and Discussion · Figure 4b
CV redox couple 3 reduction potential	1.93 V	1.93 V vs Li+/Li	—	Text Exact Reported	4 · Results and Discussion · Figure 4b
CuCA retained charge capacity after 50 cyclesMarked as a best value within this paper	165.5 mAh g-1 at 500 mA g-1 after 50 cycles	165.5 mAh g-1	—	Text Exact Reported	4 · Results and Discussion · Figure 4e
initial discharge capacityMarked as a best value within this paper	297.0 mAh g-1 at 50 mA g-1	297 mAh g-1	—	Text Exact Reported	4 · Results and Discussion · Figure 4a
CA2-/CA3- discharge plateau	2.3 V	2.3 V vs Li+/Li	—	Text Rounded Reported	4 · Results and Discussion · Figure 4a
CA3-/CA4- discharge plateau	2.0 V	2 V vs Li+/Li	—	Text Rounded Reported	4 · Results and Discussion · Figure 4a
Cu2+/Cu+ discharge plateau	3.0 V	3 V vs Li+/Li	—	Text Rounded Reported	4 · Results and Discussion · Figure 4a
CuCA charge capacity at 100 mA g-1	268.5 mAh g-1	268.5 mAh g-1	—	Text Exact Reported	4 · Results and Discussion · Figure 4d
CuCA charge capacity at 1000 mA g-1Marked as a best value within this paper	160.6 mAh g-1	160.6 mAh g-1	—	Text Exact Reported	4 · Results and Discussion · Figure 4d
CuCA charge capacity at 200 mA g-1	221.9 mAh g-1	221.9 mAh g-1	—	Text Exact Reported	4 · Results and Discussion · Figure 4d
CuCA charge capacity at 500 mA g-1	189.3 mAh g-1	189.3 mAh g-1	—	Text Exact Reported	4 · Results and Discussion · Figure 4d
theoretical capacity of CuCA	297 mAh g-1	297 mAh g-1	—	Calculated From Reported Exact Reported	4 · Theoretical Capacity Calculations

galvanostatic discharge-charge, rate capability, cycling

Galvanostatic cycling

K2CA composite electrode in quasi-solid-state LIB coin cell · Electrode

K2CA control electrode in CR2032 LIB cells with PPC-PEO-LiTFSI-Al2O3 based quasi-solid-state electrolyte.

Temperature: room temperature
Geometry: coin cell
Context: control composite cathode
Measurement source: 4-5 · Results and Discussion · Figure 4d-e; Figure S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
K2CA retained charge capacity after 50 cycles	70.0 mAh g-1 at 500 mA g-1 after 50 cycles	70 mAh g-1	—	Text Exact Reported	4 · Results and Discussion · Figure 4e
K2CA first discharge capacity	58.7 mAh g-1	58.7 mAh g-1	—	Text Exact Reported	4 · Results and Discussion · Figure S5
K2CA low-voltage discharge plateau 1	2.2 V	2.2 V vs Li+/Li	—	Text Rounded Reported	4 · Results and Discussion · Figure S5
K2CA low-voltage discharge plateau 2	2.0 V	2 V vs Li+/Li	—	Text Rounded Reported	4 · Results and Discussion · Figure S5
K2CA charge capacity at 100 mA g-1	181.3 mAh g-1	181.3 mAh g-1	—	Text Exact Reported	4 · Results and Discussion · Figure 4d
K2CA charge capacity at 1000 mA g-1	54.5 mAh g-1	54.5 mAh g-1	—	Text Exact Reported	4 · Results and Discussion · Figure 4d
K2CA charge capacity at 200 mA g-1	121.8 mAh g-1	121.8 mAh g-1	—	Text Exact Reported	4 · Results and Discussion · Figure 4d
K2CA charge capacity at 500 mA g-1	79.2 mAh g-1	79.2 mAh g-1	—	Text Exact Reported	4 · Results and Discussion · Figure 4d

galvanostatic intermittent titration technique (GITT)

Galvanostatic cycling

CuCA composite electrode in quasi-solid-state LIB coin cell · Electrode

NEWARE battery test between 1.7-4.0 V; discharged at 50 mA g-1 for 15 min then rested for 1 h; quasi-solid-state electrolyte.

Geometry: coin cell
Context: composite CuCA cathode
Measurement source: 4 · Galvanostatic Intermittent Titration Technique (GITT) · Figure S7

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Li+ diffusion coefficient upper bound	10^-10 cm2 s-1	1e-14 m2 s-1	range 10^-12-10^-10 cm2 s-1	Text Range	5 · Results and Discussion · Figure S7
Li+ diffusion coefficient lower bound	10^-12 cm2 s-1	1e-16 m2 s-1	range 10^-12-10^-10 cm2 s-1	Text Range	5 · Results and Discussion · Figure S7

galvanostatic cycling with liquid electrolyte

Galvanostatic cycling

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

CA and CuCA tested at 500 mA g-1 with 1.0 M LiTFSI in DME/DOL (1:1 Vol%) and Celgard 2400 separator.

Geometry: coin cell
Context: liquid-electrolyte control
Measurement source: 5 · Results and Discussion · Figures S9-S10

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CuCA liquid-electrolyte capacity after 50 cycles	approximately 20-30 mAh g-1 at 500 mA g-1	25 mAh g-1	visual estimate from Figure S10	Visual Estimate Uncertain	14 · Results and Discussion · Figure S10