Electrochemistry Application — Stabilizing Redox-Active Hexaazatriphenylene in a 2D Conductive Metal–Organic Framework for Improved Lithium Storage Performance

10 measurement groups · 54 results

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

scan-rate CV and capacitive contribution analysis

Voltammetry

6OH-HATN electrode · Electrode

6OH-HATN and HATN controls at 0.2-1.0 mV s^-1; b-value fitting and capacitive contribution analysis.

Atmosphere: coin cell electrolyte
Geometry: R2032 half-cell
Context: organic control electrodes
Measurement source: 7 · Results and Discussion · Figures S34-S35

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
6OH-HATN oxidation peak b value	b = 1.05	—	—	Figure Axis Exact Reported	24 · Supplementary Figures and Text · Figure S34
6OH-HATN reduction peak I b value	b = 0.87	—	—	Figure Axis Exact Reported	24 · Supplementary Figures and Text · Figure S34
6OH-HATN reduction peak II b value	b = 0.96	—	—	Figure Axis Exact Reported	24 · Supplementary Figures and Text · Figure S34
6OH-HATN capacitive contribution at 0.6 mV s^-1	90.0%	—	—	Figure Axis Exact Reported	5 · Results and Discussion · Figure 3f
HATN oxidation peak b value	b = 0.94	—	—	Figure Axis Exact Reported	25 · Supplementary Figures and Text · Figure S35
HATN reduction peak b value	b = 0.85	—	—	Figure Axis Exact Reported	25 · Supplementary Figures and Text · Figure S35
HATN capacitive contribution at 0.6 mV s^-1	74.4%	—	—	Figure Axis Exact Reported	5 · Results and Discussion · Figure 3f

cyclic voltammetry

Voltammetry

HATN electrode · Electrode

HATN and 6OH-HATN control electrodes, 0.1 mV s^-1, 0.01-3.0 V vs Li+/Li.

Atmosphere: coin cell electrolyte
Geometry: R2032 half-cell
Context: organic control electrodes
Measurement source: 4 · Results and Discussion · Figures S24-S25

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
HATN first-cycle redox peak 1	0.5 V	—	—	Text Rounded Reported	4 · Results and Discussion · Figure S25
HATN first-cycle redox peak 2	1.6 V	—	—	Text Rounded Reported	4 · Results and Discussion · Figure S25
HATN first-cycle redox peak 3	2.3 V	—	—	Text Rounded Reported	4 · Results and Discussion · Figure S25

cyclic voltammetry

Voltammetry

Cu-HATN electrode · Electrode

Cu-HATN electrode, 0.1 mV s^-1, 0.01-3.0 V vs Li+/Li.

Atmosphere: coin cell electrolyte
Geometry: R2032 half-cell
Context: Cu-HATN composite electrode
Measurement source: 4-5 · Results and Discussion · Figure 3a

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu-HATN CV oxidation peak	approx 0.89 V vs Li+/Li	—	—	Text Approximate	4 · Results and Discussion · Figure 3a
Cu-HATN CV reduction peak	approx 0.56 V vs Li+/Li	—	—	Text Approximate	4 · Results and Discussion · Figure 3a

scan-rate CV and capacitive contribution analysis

Voltammetry

Cu-HATN electrode · Electrode

CV at 0.2-1.0 mV s^-1; b-value fitting and i=k1v+k2v^1/2 analysis.

Atmosphere: coin cell electrolyte
Geometry: R2032 half-cell
Context: Cu-HATN electrode
Measurement source: 6 · Results and Discussion · Figure 4a-c; Figure S33

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu-HATN oxidation peak b value	b = 0.98	—	—	Text Exact Reported	6 · Results and Discussion · Figure 4b
Cu-HATN reduction peak b value	b = 0.93	—	—	Text Exact Reported	6 · Results and Discussion · Figure 4b
Cu-HATN capacitive contribution at 0.2 mV s^-1	84.4%	—	—	Figure Axis Exact Reported	6 · Results and Discussion · Figure 4c
Cu-HATN capacitive contribution at 0.6 mV s^-1Marked as a best value within this paper	91.6%	—	—	Figure Axis Exact Reported	5-6 · Results and Discussion · Figure 3f; Figure 4c
Cu-HATN capacitive contribution at 0.8 mV s^-1	93.6%	—	—	Figure Axis Exact Reported	6 · Results and Discussion · Figure 4c

long-term galvanostatic cycling

Galvanostatic cycling

Cu-HATN electrode · Electrode

Cycling at 300 and 600 mA g^-1; compared with 6OH-HATN and HATN.

Atmosphere: coin cell electrolyte
Geometry: R2032 half-cell
Context: Cu-HATN electrode with organic controls
Measurement source: 5-6 · Results and Discussion · Figure 3h; Figure S26b; Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu-HATN capacity decay rateMarked as a best value within this paper	0.02% per cycle	—	—	SI Table Exact Reported	29 · Table S1 · Table S1
Cu-HATN capacity retention after 600 cycles at 300 mA g^-1Marked as a best value within this paper	88% after 600 cycles at 300 mA g^-1	—	—	SI Table Exact Reported	29 · Table S1 · Table S1
Cu-HATN reversible capacity at 300 mA g^-1Marked as a best value within this paper	763 mAh g^-1 (300 mA g^-1)	—	—	SI Table Exact Reported	29 · Table S1 · Table S1
6OH-HATN capacity at 300 mA g^-1	456 mAh g^-1	—	—	Text Exact Reported	6 · Results and Discussion · Figure 3h; Figure S27b
6OH-HATN capacity at 600 mA g^-1	145 mAh g^-1	—	—	Text Exact Reported	6 · Results and Discussion · Figure S27b
HATN capacity at 300 mA g^-1	361 mAh g^-1	—	—	Text Exact Reported	6 · Results and Discussion · Figure 3h; Figure S28b
HATN capacity at 600 mA g^-1	98 mAh g^-1	—	—	Text Exact Reported	6 · Results and Discussion · Figure S28b
Coulombic efficiency during 600 cycles	approx 100%	—	—	Text Approximate	6 · Results and Discussion · Figure 3h
Cu-HATN capacity at 600 mA g^-1	up to 570 mAh g^-1	—	—	Text Approximate	6 · Results and Discussion · Figure S26b
Cu-HATN capacity retention at 600 mA g^-1 after 500 cycles	71% after 500 cycles	—	—	Text Exact Reported	6 · Results and Discussion · Figure S26b

electrochemical impedance spectroscopy

Impedance spectroscopy

Cu-HATN electrode · Electrode

Nyquist plots fitted with equivalent circuit for Cu-HATN, 6OH-HATN and HATN electrodes.

Atmosphere: coin cell electrolyte
Geometry: R2032 half-cell
Context: Cu-HATN and control electrodes
Measurement source: 5-6 · Results and Discussion · Figure 3d

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
6OH-HATN charge-transfer resistance Rct	Rct = 369.4 Ohm	—	—	Figure Axis Exact Reported	5 · Results and Discussion · Figure 3d
Cu-HATN charge-transfer resistance RctMarked as a best value within this paper	Rct = 86.2 Ohm	—	—	Figure Axis Exact Reported	5 · Results and Discussion · Figure 3d
HATN charge-transfer resistance Rct	Rct = 186.8 Ohm	—	—	Figure Axis Exact Reported	5 · Results and Discussion · Figure 3d

R2032 half-cell assembly and electrochemical testing

Cu-HATN electrode · Electrode

Li counter electrode, polypropylene separator, 1 M LiPF6 in EC/DMC/DEC 1:1:1, voltage window 0.01-3.0 V.

Atmosphere: Ar glovebox for cell assembly
Geometry: R2032 coin cell vs Li metal
Context: Cu-HATN composite electrode
Measurement source: 3 · Electrochemical Measurements

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
active material areal loading upper bound	0.7-1.0 mg cm^-2	—	range 0.7-1.0 mg cm^-2	Text Range	3 · Electrochemical Measurements
active material areal loading lower bound	0.7-1.0 mg cm^-2	—	range 0.7-1.0 mg cm^-2	Text Range	3 · Electrochemical Measurements
active material fraction in electrodes	70 wt%	—	—	SI Table Exact Reported	29 · Table S1 · Table S1

galvanostatic charge-discharge

Galvanostatic cycling

Cu-HATN electrode · Electrode

First discharge/charge profiles at 50 mA g^-1 for Cu-HATN, 6OH-HATN and HATN.

Atmosphere: coin cell electrolyte
Geometry: R2032 half-cell
Context: Cu-HATN electrode with organic controls
Measurement source: 4-5 · Results and Discussion · Figure 3b

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
initial discharge capacity 6OH-HATN at 50 mA g^-1	722 mAh g^-1	—	—	Text Exact Reported	4 · Results and Discussion · Figure 3b
initial discharge capacity Cu-HATN at 50 mA g^-1	1177 mAh g^-1	—	—	Text Exact Reported	4 · Results and Discussion · Figure 3b
initial discharge capacity HATN at 50 mA g^-1	672 mAh g^-1	—	—	Text Exact Reported	4 · Results and Discussion · Figure 3b
second process capacity 6OH-HATN	316 mAh g^-1	—	—	Text Exact Reported	4 · Results and Discussion · Figure 3b
second process capacity Cu-HATN	621 mAh g^-1	—	—	Text Exact Reported	4 · Results and Discussion · Figure 3b
second process capacity HATN	260 mAh g^-1	—	—	Text Exact Reported	4 · Results and Discussion · Figure 3b

rate performance cycling

Cu-HATN electrode · Electrode

After 50 cycles activation at 150 mA g^-1, capacities measured at 150-1500 mA g^-1.

Atmosphere: coin cell electrolyte
Geometry: R2032 half-cell
Context: Cu-HATN electrode with 6OH-HATN/HATN controls
Measurement source: 5 · Results and Discussion · Figure 3c

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
6OH-HATN rate capacity at 150 mA g^-1	358.6 mAh g^-1	—	—	Text Exact Reported	5 · Results and Discussion · Figure 3c
6OH-HATN rate capacity at 1500 mA g^-1	263.2 mAh g^-1	—	—	Text Exact Reported	5 · Results and Discussion · Figure 3c
Cu-HATN rate capacity at 1200 mA g^-1	377.2 mAh g^-1	—	—	Text Exact Reported	5 · Results and Discussion · Figure 3c
Cu-HATN rate capacity at 150 mA g^-1	708.7 mAh g^-1	—	—	Text Exact Reported	5 · Results and Discussion · Figure 3c
Cu-HATN rate capacity at 1500 mA g^-1	319.7 mAh g^-1	—	—	Text Exact Reported	5 · Results and Discussion · Figure 3c
Cu-HATN rate capacity at 300 mA g^-1	649.6 mAh g^-1	—	—	Text Exact Reported	5 · Results and Discussion · Figure 3c
Cu-HATN rate capacity at 600 mA g^-1	536.0 mAh g^-1	—	—	Text Exact Reported	5 · Results and Discussion · Figure 3c
Cu-HATN rate capacity at 900 mA g^-1	452.7 mAh g^-1	—	—	Text Exact Reported	5 · Results and Discussion · Figure 3c
HATN rate capacity at 150 mA g^-1	117.1 mAh g^-1	—	—	Text Exact Reported	5 · Results and Discussion · Figure 3c
HATN rate capacity at 1500 mA g^-1	70.8 mAh g^-1	—	—	Text Exact Reported	5 · Results and Discussion · Figure 3c

self-discharge and electrolyte-solubility tests

Cu-HATN electrode · Electrode

Open-circuit voltage and capacity after 20 days storage; electrode immersion in electrolyte for more than 24 h.

Atmosphere: coin cell electrolyte
Geometry: R2032 half-cell and vial immersion
Context: Cu-HATN electrode with 6OH-HATN/HATN controls
Measurement source: 6 · Results and Discussion · Figure 3e; Figures S30-S32

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu-HATN retained capacity after 20 days storageMarked as a best value within this paper	approx 100% initial capacity retained	—	—	Text Approximate	6 · Results and Discussion · Figure S30
HATN initial capacity retained after 20 days	72%	—	—	Text Exact Reported	6 · Results and Discussion · Figure S32
HATN self-discharge final voltage after 20 days	1.88 V	—	—	Text Exact Reported	6 · Results and Discussion · Figure S32
HATN self-discharge initial voltage	2.95 V	—	—	Text Exact Reported	6 · Results and Discussion · Figure S32
Cu-HATN electrode electrolyte solubility	excellent insolubility; no dissolution after >24 h immersion	—	—	Text Qualitative	6 · Results and Discussion · Figure 3e