Electrochemistry Application — Quinone-Based Conducting Three-Dimensional Metal-Organic Framework as a Cathode Material for Lithium-Ion Batteries

11 measurement groups · 41 results

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

CV scan-rate and capacitive/diffusive contribution analysis

Voltammetry

(NBu4)2Fe2(DHBQ)3/Super P/PVDF lithium-ion cathode electrode · Electrode

CV at 0.1, 0.2, 0.3, 0.5, 0.8, 1.0 and 2.0 mV/s; ip-v^0.5 and log(i)-log(v) analyses.

Geometry: coin cell
Context: composite cathode electrode
Measurement source: 20818 · Results and Discussion · Figure 5a-b; Figure S14

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
b value for peak A	0.741	—	—	Text Exact Reported	20818 · Results and Discussion · Figure S14a
b value for peak B reported in main text	0.851	—	—	Text Exact Reported	20818 · Results and Discussion · Figure S14a
b value for peak B as labelled in SI figure	0.833	—	—	Figure Axis Approximate	S15 · Supporting Information · Figure S14a
Ion diffusion contribution for peak A at 0.1 mV/s	71.7%	—	—	Text Exact Reported	20818 · Results and Discussion · Figure S14c
Ion diffusion contribution for peak B at 0.1 mV/s	56.82%	—	—	Text Exact Reported	20818 · Results and Discussion · Figure S14d
CV scan rates tested	0.1, 0.2, 0.3, 0.5, 0.8, 1.0, and 2.0 mV s-1	—	—	Text Exact Reported	20818 · Results and Discussion · Figure 5a

Differential capacity analysis

(NBu4)2Fe2(DHBQ)3/Super P/PVDF lithium-ion cathode electrode · Electrode

dQ/dV curves of the initial two Li-ion cycles.

Geometry: coin cell
Context: composite cathode electrode
Measurement source: 20816 · Results and Discussion · Figure S8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
dQ/dV higher peak potential	2.28 V	—	—	Text Exact Reported	20816 · Results and Discussion · Figure S8
dQ/dV lower peak potential	2.25 V	—	—	Text Exact Reported	20816 · Results and Discussion · Figure S8

Electrochemical impedance spectroscopy

Impedance spectroscopy

(NBu4)2Fe2(DHBQ)3/Super P/PVDF lithium-ion cathode electrode · Electrode

EIS at 10 mV amplitude over 100 kHz to 100 mHz at pristine/open-circuit and after cycling states.

Geometry: coin cell
Context: composite cathode electrode
Measurement source: 20816 · Results and Discussion · Figure S9

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Charge-transfer resistance at open-circuit voltage	about 200 ohm	—	—	Text Approximate	20816 · Results and Discussion · Figure S9

GITT diffusion coefficient analysis

(NBu4)2Fe2(DHBQ)3/Super P/PVDF lithium-ion cathode electrode · Electrode

GITT with 10 mA/g current pulses for 10 min followed by 30 min rest, used to calculate Li+/NBu4+ diffusion coefficients.

Geometry: coin cell
Context: composite cathode electrode
Measurement source: 20818 · Results and Discussion · Figure 5c-d

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ion diffusion coefficient upper bound	10^-8 cm2 s-1	—	—	Text Range	20818 · Results and Discussion · Figure 5d
Ion diffusion coefficient lower bound	10^-10 cm2 s-1	—	—	Text Range	20818 · Results and Discussion · Figure 5d
GITT pulse duration	10 min	—	—	Text Exact Reported	20818 · Results and Discussion · Figure 5c
GITT rest duration	30 min	—	—	Text Exact Reported	20818 · Results and Discussion · Figure 5c

Cyclic voltammetry

Voltammetry

(NBu4)2Fe2(DHBQ)3/Super P/PVDF lithium-ion cathode electrode · Electrode

Li-ion half-cell CV at 0.1 mV/s between 1.5 and 3.5 V vs Li+/Li.

Geometry: coin cell; Li anode; Celgard 2320 separator; 1.0 M LiTFSI in DME/DOL; 50 uL electrolyte
Context: composite cathode electrode
Measurement source: 20816 · Results and Discussion · Figure 3a

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CV peak polarisation	0.1 V	—	—	Text Exact Reported	20816 · Results and Discussion · Figure 3a
CV redox peak higher-potential member	2.36 V	—	—	Text Exact Reported	20816 · Results and Discussion · Figure 3a
CV redox peak lower-potential member	2.26 V	—	—	Text Exact Reported	20816 · Results and Discussion · Figure 3a

Galvanostatic cycling

(NBu4)2Fe2(DHBQ)3/Super P/PVDF lithium-ion cathode electrode · Electrode

Li-ion half-cell cycling at 100 and 1000 mA/g; SI Figure S12 gives curves and main text reports 1000 mA/g retention.

Geometry: coin cell
Context: composite cathode electrode
Measurement source: S14 · Supporting Information · Figure S12

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Reversible capacity at 1000 mA/g in conclusion	94.4 mAh g-1	—	—	Text Exact Reported	20819 · Conclusions · Figure S12b
Capacity retention after 1000 cycles at 1000 mA/g	71.5%	—	—	Text Exact Reported	20818 · Results and Discussion · Figure S12b
Approximate capacity after 200 cycles at 100 mA/g	approximately 120 mAh g-1 from Figure S12a	—	—	Visual Estimate Approximate	S14 · Supporting Information · Figure S12a

Galvanostatic cycling

(NBu4)2Fe2(DHBQ)3/Super P/PVDF lithium-ion cathode electrode · Electrode

Li-ion half-cell cycling at 500 mA/g for 350 cycles.

Geometry: coin cell
Context: composite cathode electrode
Measurement source: 20818 · Results and Discussion · Figure 4a

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Capacity after 350 cycles at 500 mA/gMarked as a best value within this paper	103.1 mAh g-1	—	—	Text Exact Reported	20818 · Results and Discussion · Figure 4a
Capacity retention after 350 cycles at 500 mA/g	91.4%	—	—	Text Exact Reported	20818 · Results and Discussion · Figure 4a
Coulombic efficiency after first cycle	circa 100%	—	—	Text Approximate	20818 · Results and Discussion · Figures 4a and S12

Galvanostatic charge/discharge

Galvanostatic cycling

(NBu4)2Fe2(DHBQ)3/Super P/PVDF lithium-ion cathode electrode · Electrode

Initial Li-ion half-cell charge/discharge cycles at 10 mA/g between 1.5 and 3.5 V.

Geometry: coin cell; Li anode; Celgard 2320 separator; 1.0 M LiTFSI in DME/DOL
Context: composite cathode electrode
Measurement source: 20816 · Results and Discussion · Figure 3b

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
First charge capacity at 10 mA/g	135.7 mAh g-1	—	—	Text Exact Reported	20816 · Results and Discussion · Figure 3b
First discharge capacity at 10 mA/g	113.5 mAh g-1	—	—	Text Exact Reported	20816 · Results and Discussion · Figure 3b
Initial Coulombic efficiency	83.6%	—	—	Text Exact Reported	20817 · Results and Discussion · Figure 3b
Theoretical capacity	135.7 mAh g-1	—	—	SI Table Exact Reported	S4 · Supporting Information · Eq. 1

Ragone plot

(NBu4)2Fe2(DHBQ)3/Super P/PVDF lithium-ion cathode electrode · Electrode

Energy density versus power density for Li-ion cathode compared with reported MOF cathode materials.

Geometry: coin cell
Context: composite cathode electrode
Measurement source: 20818 · Results and Discussion · Figure 4d

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Energy density at high power density	217.98 Wh kg-1 at 2290 W kg-1	2290 W kg-1	—	Text Exact Reported	20818 · Results and Discussion · Figure 4d
Energy density at low power density	324.6 Wh kg-1 at 23.7 W kg-1	23.7 W kg-1	—	Text Exact Reported	20818 · Results and Discussion · Figure 4d

Galvanostatic rate capability

Galvanostatic cycling

(NBu4)2Fe2(DHBQ)3/Super P/PVDF lithium-ion cathode electrode · Electrode

Li-ion rate capability from 10 to 1000 mA/g and back to 10 mA/g.

Geometry: coin cell
Context: composite cathode electrode
Measurement source: 20818 · Results and Discussion · Figure 4b-c

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Rate capacity at 1000 mA/g	94.4 mAh g-1 at 1000 mA g-1	—	—	Text Exact Reported	20818 · Results and Discussion · Figure 4b
Rate capacity at 100 mA/g	114.5 mAh g-1 at 100 mA g-1	—	—	Text Exact Reported	20818 · Results and Discussion · Figure 4b
Rate capacity at 10 mA/gMarked as a best value within this paper	138.4 mAh g-1 at 10 mA g-1	—	—	Text Exact Reported	20818 · Results and Discussion · Figure 4b
Rate capacity at 200 mA/g	109.3 mAh g-1 at 200 mA g-1	—	—	Text Exact Reported	20818 · Results and Discussion · Figure 4b
Rate capacity at 20 mA/g	128.3 mAh g-1 at 20 mA g-1	—	—	Text Exact Reported	20818 · Results and Discussion · Figure 4b
Rate capacity at 500 mA/g	101.8 mAh g-1 at 500 mA g-1	—	—	Text Exact Reported	20818 · Results and Discussion · Figure 4b
Rate capacity at 50 mA/g	121.3 mAh g-1 at 50 mA g-1	—	—	Text Exact Reported	20818 · Results and Discussion · Figure 4b
Recovered capacity after returning to 10 mA/g	112.5 mAh g-1	—	—	Text Exact Reported	20818 · Results and Discussion · Figure 4b
Capacity retention from 10 to 1000 mA/g	68.2%	—	—	Text Exact Reported	20818 · Results and Discussion · Figure 4b

Galvanostatic sodium-ion storage

Galvanostatic cycling

(NBu4)2Fe2(DHBQ)3/Super P/PVDF sodium-ion cathode electrode · Electrode

Na-ion half-cell between 1.2 and 3.2 V using Na foil, glass fibre separator and 1.0 M NaPF6 in DME.

Geometry: Na foil anode; glass fibre separator; 80 uL 1.0 M NaPF6 in DME electrolyte
Context: composite cathode electrode
Measurement source: 20818 · Results and Discussion · Figure S13

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Na-ion Coulombic efficiency during 50-cycle test	near 100%	—	—	Text Approximate	20818 · Results and Discussion · Figure S13b
Na-ion capacity at 50 mA/g after 50 cycles	102.1 mAh g-1	—	—	Text Exact Reported	20818 · Results and Discussion · Figure S13b
Na-ion first charge capacity at 10 mA/g	104.3 mAh g-1	—	—	Text Exact Reported	20818 · Results and Discussion · Figure S13a
Na-ion first discharge capacity at 10 mA/g	91.3 mAh g-1	—	—	Text Exact Reported	20818 · Results and Discussion · Figure S13a