Electrochemistry Application — Si nanoparticles confined within a conductive 2D porous Cu-based metal–organic framework (Cu3(HITP)2) as potential anodes for high-capacity Li-ion batteries

10 measurement groups · 71 results

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

Cyclic voltammetry

Voltammetry

pure Cu3(HITP)2 electrode · Electrode

Pure Cu3(HITP)2 electrode in 0.005-1.5 V vs Li/Li+ at 0.1 mV s-1.

Geometry: coin-cell electrode
Context: pristine conductive-MOF electrode control
Measurement source: S9 · Fig. S7 caption · Fig. S7

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Pure Cu3(HITP)2 high-potential delithiation feature	1.15 V	—	—	Figure Axis Approximate	S9 · Fig. S7 · Fig. S7a
Pure Cu3(HITP)2 delithiation peak	0.08 V	—	—	Figure Axis Approximate	S9 · Fig. S7 · Fig. S7a
Pure Cu3(HITP)2 broad lithiation feature	0.7 V	—	—	Figure Axis Approximate	S9 · Fig. S7 · Fig. S7a
Pure Cu3(HITP)2 CV lithiation peak	0.16 V	—	—	Figure Axis Approximate	S9 · Fig. S7 · Fig. S7a

Cyclic voltammetry

Voltammetry

Si@Cu3(HITP)2-5 electrode · Electrode

0.005-1.5 V vs Li/Li+, scan rate 0.1 mV s-1 according to figure caption; experimental section states 0.01 mV s-1.

Temperature: 298
Atmosphere: argon-filled coin cells
Geometry: CR2032 half-cell with Li counter/reference
Context: Composite series and pure Si control
Measurement source: 8 · Results and discussion · Fig. 5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CV anodic peak for amorphous LixSi to Si	0.48 V	—	—	Text Rounded Reported	7 · Results and discussion · Fig. 5b
CV cathodic peak for LixSi formation	0.21 V and 0.1 V	—	also 0.1 V	Text Rounded Reported	7 · Results and discussion · Fig. 5

Electrochemical impedance spectroscopy

Impedance spectroscopy

Si@Cu3(HITP)2-5 electrode · Electrode

100 kHz to 0.1 Hz, amplitude 10 mV, before cycling; Rct estimated from semicircle diameter.

Temperature: 298
Atmosphere: argon-filled coin cells
Geometry: half-cell electrodes
Context: Pure Si, pure Cu3(HITP)2 and Si@Cu3(HITP)2 composites
Measurement source: Fig. S9 text · Fig. S9a

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Charge transfer resistance Si@Cu3(HITP)2-10	120 ohm	—	estimated from semicircle	Figure Axis Approximate	S12 · Fig. S9 text · Fig. S9a
Charge transfer resistance Si@Cu3(HITP)2-15	104 ohm	—	estimated from semicircle	Figure Axis Approximate	S12 · Fig. S9 text · Fig. S9a
Charge transfer resistance Si@Cu3(HITP)2-5	268 ohm	—	estimated from semicircle	Figure Axis Approximate	S12 · Fig. S9 text · Fig. S9a
Charge transfer resistance pure Cu-MOFMarked as a best value within this paper	96 ohm	—	estimated from semicircle	Figure Axis Approximate	S11-S12 · Fig. S9 text · Fig. S9a
Charge transfer resistance pure Si	317 ohm	—	estimated from semicircle	Figure Axis Approximate	S11-S12 · Fig. S9 text · Fig. S9a

Full-cell galvanostatic cycling and rate capability

Galvanostatic cycling

Si@Cu3(HITP)2-5/LiCoO2 full cell · Unknown

Si@Cu3(HITP)2-5 anode pre-lithiated for 1 cycle at 0.1C; full-cell cycled 2.5-4.2 V. Capacity normalised to Si@Cu-MOF anode loading.

Atmosphere: argon-filled cell assembly
Geometry: full cell with commercial LiCoO2 cathode
Context: Full-cell application
Measurement source: 13 · Results and discussion · Fig. 9

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Full-cell discharge capacity after 50 cycles at 0.1CMarked as a best value within this paper	1038 mAh g-1	—	—	Text Exact Reported	13 · Results and discussion · Fig. 9b
Full-cell average working potential	~3.8 V	—	~	Text Approximate	13 · Results and discussion · Fig. 9a
Full-cell initial charge capacity at 0.1CMarked as a best value within this paper	2677 mAh g-1	—	—	Text Exact Reported	13 · Results and discussion · Fig. 9a
Full-cell initial discharge capacity at 0.1C	2265 mAh g-1	—	—	Text Exact Reported	13 · Results and discussion · Fig. 9a
Full-cell average discharge capacity at 0.05CMarked as a best value within this paper	approximately 1977 mAh g-1	—	approximately	Text Approximate	13 · Results and discussion · Fig. 9d
Full-cell average discharge capacity at 0.15C	1900 mAh g-1	—	—	Text Exact Reported	13 · Results and discussion · Fig. 9d
Full-cell average discharge capacity at 0.1C	1915 mAh g-1	—	—	Text Exact Reported	13 · Results and discussion · Fig. 9d
Full-cell average discharge capacity at 0.2C	1715 mAh g-1	—	—	Text Exact Reported	13 · Results and discussion · Fig. 9d
Full-cell average discharge capacity at 0.3C	1588 mAh g-1	—	—	Text Exact Reported	13 · Results and discussion · Fig. 9d
Full-cell reversible discharge capacity at 0.5C	1267 mAh g-1	—	—	Text Exact Reported	1 · Abstract · Fig. 9d
Full-cell average discharge capacity at 0.8C	1222 mAh g-1	—	—	Text Exact Reported	13 · Results and discussion · Fig. 9d
Full-cell average discharge capacity at 1C	1105 mAh g-1	—	—	Text Exact Reported	13 · Results and discussion · Fig. 9d
Full-cell capacity retention after 50 cycles	45.8%	—	—	Text Exact Reported	13 · Results and discussion · Fig. 9b

Galvanostatic discharge-charge cycling

Galvanostatic cycling

pure Cu3(HITP)2 electrode · Electrode

Pure Cu3(HITP)2 MOF electrode at 0.1C; 1C defined as 3600 mAh g-1 in SI caption.

Geometry: coin-cell electrode
Context: pristine conductive-MOF electrode control
Measurement source: S13 · Fig. S10 caption · Fig. S10

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Pure Cu3(HITP)2 capacity after 100 cycles	~610 mAh g-1	—	—	Figure Axis Approximate	S13 · Fig. S10 · Fig. S10a
Pure Cu3(HITP)2 initial charge capacity	~1003 mAh g-1	—	—	Figure Axis Approximate	S13 · Fig. S10 · Fig. S10a
Pure Cu3(HITP)2 initial discharge capacity	~1565 mAh g-1	—	—	Figure Axis Approximate	S13 · Fig. S10 · Fig. S10a

Galvanostatic discharge-charge cycling

Galvanostatic cycling

Si@Cu3(HITP)2-5 electrode · Electrode

Half-cells cycled at 0.1C, corresponding to 360 mA g-1, 0.005-1.5 V vs Li/Li+.

Temperature: 298
Atmosphere: argon-filled coin cells
Geometry: CR2032 half-cell with Li counter/reference
Context: Composite series and pure Si control
Measurement source: 7 · Results and discussion · Fig. 6a-c

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Reversible capacity after 100 cycles Si@Cu3(HITP)2-10	1399 mAh g-1	—	—	SI Table Exact Reported	S2 · Table S1 · Table S1
Reversible capacity after 100 cycles Si@Cu3(HITP)2-15	1485 mAh g-1	—	—	SI Table Exact Reported	S2 · Table S1 · Table S1
Reversible capacity after 100 cycles Si@Cu3(HITP)2-5Marked as a best value within this paper	2483 mAh g-1	—	—	Text Exact Reported	9 · Results and discussion · Fig. 6b
Reversible capacity after 100 cycles pure Si	1725 mAh g-1	—	—	Text Exact Reported	9 · Results and discussion · Fig. 6b
First charge capacity Si@Cu3(HITP)2-10	1438 mAh g-1	—	—	Text Exact Reported	7 · Results and discussion · Fig. 6a
First charge capacity Si@Cu3(HITP)2-15	1329 mAh g-1	—	—	Text Exact Reported	S2 · Table S1 · Table S1
First charge capacity Si@Cu3(HITP)2-5Marked as a best value within this paper	2511 mAh g-1	—	—	Text Exact Reported	1 · Abstract · Fig. 6a
First charge capacity pure SiMarked as a best value within this paper	2527 mAh g-1	—	—	Text Exact Reported	7 · Results and discussion · Fig. 6a
First discharge capacity Si@Cu3(HITP)2-10	2181 mAh g-1	—	—	SI Table Exact Reported	S2 · Table S1 · Table S1
First discharge capacity Si@Cu3(HITP)2-15	2154 mAh g-1	—	—	SI Table Exact Reported	S2 · Table S1 · Table S1
First discharge capacity Si@Cu3(HITP)2-5Marked as a best value within this paper	3201 mAh g-1	—	—	Text Exact Reported	13 · Conclusions · Fig. 6a
First discharge capacity pure Si	3112 mAh g-1	—	—	Text Exact Reported	7 · Results and discussion · Fig. 6a
Initial coulombic efficiency Si@Cu3(HITP)2-10	66%	—	—	Text Exact Reported	7 · Results and discussion · Table S1
Initial coulombic efficiency Si@Cu3(HITP)2-15	61.6%	—	—	Text Exact Reported	7 · Results and discussion · Table S1
Initial coulombic efficiency Si@Cu3(HITP)2-5Marked as a best value within this paper	78.5%	—	—	Text Exact Reported	1 · Abstract · Table S1
Initial coulombic efficiency pure SiMarked as a best value within this paper	81.2%	—	—	Text Exact Reported	7 · Results and discussion · Table S1
Capacity retention after 100 cycles Si@Cu3(HITP)2-10	97.3%	—	—	Text Exact Reported	9 · Results and discussion · Fig. 6b
Capacity retention after 100 cycles Si@Cu3(HITP)2-15	111.7%	—	—	Text Exact Reported	9 · Results and discussion · Fig. 6b
Capacity retention after 100 cycles Si@Cu3(HITP)2-5	98.9%	—	—	Text Exact Reported	9 · Results and discussion · Fig. 6b
Capacity retention after 100 cycles pure Si	68.3%	—	—	Text Exact Reported	9 · Results and discussion · Fig. 6b

LCO half-cell cycling

commercial LiCoO2 cathode · Electrode

Commercial LCO cathode half-cell, 3.5-4.2 V, 100 cycles at 0.1C.

Atmosphere: argon-filled cell assembly
Geometry: half-cell
Context: Cathode control for full-cell
Measurement source: 13 · Results and discussion · Fig. S15

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
LCO cathode first charge capacity	~170 mAh g-1	—	—	Figure Axis Approximate	S17 · Fig. S15 · Fig. S15a
LCO cathode first discharge capacity	~149 mAh g-1	—	—	Figure Axis Approximate	S17 · Fig. S15 · Fig. S15a
LCO cathode capacity retention after 100 cycles	85.4%	—	—	Text Exact Reported	13 · Results and discussion · Fig. S15b

Long-term galvanostatic cycling

Galvanostatic cycling

Si@Cu3(HITP)2-5 electrode · Electrode

Activated/relaxed for 10 cycles at 0.1C then cycled at 1C (3600 mA g-1) for 1000 cycles.

Temperature: 298
Atmosphere: argon-filled coin cells
Geometry: CR2032 half-cell
Context: Composite series
Measurement source: 10 · Results and discussion · Fig. 6f; Fig. S12

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Si@Cu3(HITP)2-10 capacity after 1000 cycles at 1C	437 mAh g-1	—	—	Text Exact Reported	10 · Results and discussion · Fig. 6f
Si@Cu3(HITP)2-15 capacity after 1000 cycles at 1C	502 mAh g-1	—	—	Text Exact Reported	10 · Results and discussion · Fig. 6f
Si@Cu3(HITP)2-5 capacity after 1000 cycles at 1CMarked as a best value within this paper	1039 mAh g-1	—	—	Text Exact Reported	1 · Abstract · Fig. 6f
Si@Cu3(HITP)2-5 first-cycle capacity at 1C long test	2387 mAh g-1	—	—	Text Exact Reported	10 · Results and discussion · Fig. 6f
Si@Cu3(HITP)2-5 CE after ten 1C cyclesMarked as a best value within this paper	~99.9%	—	~	Text Approximate	10 · Results and discussion · Fig. S12a
Si@Cu3(HITP)2-5 CE after five 1C cycles	99.1%	—	—	Text Exact Reported	10 · Results and discussion · Fig. S12a

Galvanostatic rate capability

Galvanostatic cycling

Si@Cu3(HITP)2-5 electrode · Electrode

C-rates from 0.1C to 20C in 10-cycle increments; 1C = 3600 mA g-1.

Temperature: 298
Atmosphere: argon-filled coin cells
Geometry: CR2032 half-cell
Context: Composite series and pure Si control
Measurement source: 10 · Results and discussion · Fig. 6d-e

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Si@Cu3(HITP)2-10 average reversible capacity at 0.1C in rate test	1782 mAh g-1	—	—	Text Rounded Reported	10 · Results and discussion · Fig. 6d
Si@Cu3(HITP)2-15 average reversible capacity at 0.1C in rate test	1845 mAh g-1	—	—	Text Rounded Reported	10 · Results and discussion · Fig. 6d
Si@Cu3(HITP)2-15 capacity at 10C	>=834 mAh g-1	—	—	Text Rounded Reported	10 · Results and discussion · Fig. 6d
Si@Cu3(HITP)2-15 capacity at 20CMarked as a best value within this paper	>=429 mAh g-1	—	>=	Text Approximate	10 · Results and discussion · Fig. 6d
Si@Cu3(HITP)2-5 average reversible capacity at 0.1C in rate test	2483 mAh g-1	—	—	Text Rounded Reported	10 · Results and discussion · Fig. 6d
Si@Cu3(HITP)2-5 capacity at 10C	785 mAh g-1	—	—	Text Exact Reported	1 · Abstract · Fig. 6d
Si@Cu3(HITP)2-5 capacity at 20C	404 mAh g-1	—	—	Text Exact Reported	13 · Conclusions · Fig. 6d
Si@Cu3(HITP)2-5 capacity at 5C	1303 mAh g-1	—	—	Text Exact Reported	1 · Abstract · Fig. 6d
Pure Si average reversible capacity at 0.1C in rate test	2680 mAh g-1	—	—	Text Rounded Reported	10 · Results and discussion · Fig. 6d

Galvanostatic cycling

Si@Cu3(HITP)2-3 · Powder

Si@Cu3(HITP)2-3 electrode at 0.1C for 50 cycles, compared with pure Si and Si@Cu3(HITP)2-5.

Atmosphere: argon-filled coin cells
Geometry: CR2032 half-cell
Context: Low Cu-MOF loading comparison
Measurement source: Fig. S8 text · Fig. S8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Si@Cu3(HITP)2-3 reversible capacity after 50 cyclesMarked as a best value within this paper	2324 mAh g-1	—	—	Text Exact Reported	S10 · Fig. S8 text · Fig. S8
Pure Si reversible capacity after 50 cycles in Fig. S8 comparison	2050 mAh g-1	—	—	Text Exact Reported	S10 · Fig. S8 text · Fig. S8
Si@Cu3(HITP)2-3 initial coulombic efficiency	78.13%	—	—	Text Exact Reported	S10 · Fig. S8 text · Fig. S8
Si@Cu3(HITP)2-3 first charge capacityMarked as a best value within this paper	2590 mAh g-1	—	—	Text Exact Reported	S10 · Fig. S8 text · Fig. S8
Si@Cu3(HITP)2-3 first discharge capacityMarked as a best value within this paper	3316 mAh g-1	—	—	Text Exact Reported	S10 · Fig. S8 text · Fig. S8
Si@Cu3(HITP)2-5 reversible capacity after 50 cycles in Fig. S8 comparison	1816 mAh g-1	—	—	Text Exact Reported	S10 · Fig. S8 text · Fig. S8