Spectroscopy — 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

5 measurement groups · 29 results

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

FTIR spectroscopy, 6700 NRX FT

Infrared spectroscopy

Si@Cu3(HITP)2-5 · Powder

FTIR over 400-4000 cm-1 comparing Si@Cu3(HITP)2-5 and pure Cu-MOF.

Geometry: powder
Context: Composite and pristine Cu-MOF control
Measurement source: 5 · Results and discussion · Fig. 1d

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C=C FTIR band	1403 cm-1	—	—	Text Exact Reported	6 · Results and discussion · Fig. 1d
C-N FTIR band	1645 cm-1	—	—	Text Exact Reported	6 · Results and discussion · Fig. 1d
C-H FTIR band	2926 cm-1	—	—	Text Exact Reported	6 · Results and discussion · Fig. 1d
N-Cu-N FTIR band	1411 cm-1	—	—	Text Exact Reported	5 · Results and discussion · Fig. 1d
N-H FTIR band	728 cm-1	—	—	Text Exact Reported	6 · Results and discussion · Fig. 1d
Si-O-Si FTIR band in Si@Cu3(HITP)2-5	1027 cm-1	—	—	Text Exact Reported	5 · Results and discussion · Fig. 1d

Raman spectroscopy, NRS-5100

Raman spectroscopy

Si@Cu3(HITP)2-5 · Powder

Raman spectra of pure Si and Si@Cu3(HITP)2 composites.

Geometry: powder
Context: Composite plus pure Si control
Measurement source: 4 · Results and discussion · Fig. 1b

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Si Raman wide peak range	~941-960 cm-1	—	—	Text Range	4 · Results and discussion · Fig. 1b
Si Raman principal peak range lower bound	517-523 cm-1	—	range 517-523 cm-1	Text Range	4 · Results and discussion · Fig. 1b

Raman spectroscopy, NRS-5100

Raman spectroscopy

pure Cu-MOF (Cu3(HITP)2) · Powder

Raman spectrum of pure Cu3(HITP)2 in SI.

Geometry: powder
Context: Pristine Cu-MOF control
Measurement source: 4 · Results and discussion · Fig. S1b

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu3(HITP)2 Raman D band	1367 cm-1	—	—	Text Exact Reported	4 · Results and discussion · Fig. S1b
Cu3(HITP)2 Raman G band	1569 cm-1	—	—	Text Exact Reported	4 · Results and discussion · Fig. S1b

Thermogravimetric analysis, TGA-50

Thermogravimetric analysis

Si@Cu3(HITP)2-5 · Powder

TGA/DSC in air, 21-500 deg C; 50 mL min-1 air flow; 5 deg C min-1 heating ramp.

Atmosphere: air
Geometry: powder
Context: Composite series and pristine controls
Measurement source: 4 · Results and discussion · Fig. 1c

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Actual Cu-MOF content in Si@Cu3(HITP)2-10	12.2 wt%	—	—	Text Exact Reported	4 · Results and discussion · Fig. 1c
Actual Cu-MOF content in Si@Cu3(HITP)2-15	17.6 wt%	—	—	Text Exact Reported	4 · Results and discussion · Fig. 1c
Actual Cu-MOF content in Si@Cu3(HITP)2-5Marked as a best value within this paper	5.7 wt%	—	—	Text Exact Reported	4 · Results and discussion · Fig. 1c
Pure Cu-MOF decomposition temperature	~315 deg C	—	~	Text Approximate	4 · Results and discussion · Fig. 1c
Pure Cu-MOF residue after combustion	16.2% of initial weight	—	—	Text Exact Reported	4 · Results and discussion · Fig. 1c; Fig. S2

XPS, K-Alpha+, Thermo Scientific

X-ray photoelectron spectroscopy

Si@Cu3(HITP)2-5 · Powder

Wide scan and high-resolution Si 2p, Cu 2p, O 1s, N 1s, and C 1s for Si@Cu3(HITP)2-5.

Geometry: powder
Context: Target composite
Measurement source: 7 · Results and discussion · Fig. 3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C-N XPS C 1s binding energy	286.5 eV	—	—	Text Exact Reported	6 · Results and discussion · Fig. 3
C=C XPS C 1s binding energy	284.8 eV	—	—	Text Exact Reported	6 · Results and discussion · Fig. 3
O-C=O XPS C 1s binding energy	288.8 eV	—	—	Text Exact Reported	6 · Results and discussion · Fig. 3
Cu 2p1/2 binding energy	955.1 eV	—	—	Text Exact Reported	6 · Results and discussion · Fig. 3
Cu 2p3/2 binding energy	935.4 eV	—	—	Text Exact Reported	6 · Results and discussion · Fig. 3c
Cu 2p1/2 satellite binding energy	962.8 eV	—	—	Text Exact Reported	6 · Results and discussion · Fig. 3
Cu 2p3/2 satellite binding energy	943 eV	—	—	Text Exact Reported	6 · Results and discussion · Fig. 3
N-C XPS N 1s binding energy	399.3 eV	—	—	Text Exact Reported	6 · Results and discussion · Fig. 3e
C-NH XPS N 1s binding energy	402.7 eV	—	—	Text Exact Reported	6 · Results and discussion · Fig. 3
N-Cu XPS N 1s binding energy	397.5 eV	—	—	Text Exact Reported	6 · Results and discussion · Fig. 3
O 1s SiO/SiO2 binding energy	532.5 eV	—	—	Text Exact Reported	6 · Results and discussion · Fig. 3
Si 2p1/2 elemental Si binding energy	100.4 eV	—	—	Text Exact Reported	6 · Results and discussion · Fig. 3
Si 2p3/2 elemental Si binding energy	99.5 eV	—	—	Text Exact Reported	6 · Results and discussion · Fig. 3b
Si 2p SiO2 binding energy	103.8 eV	—	—	Text Exact Reported	6 · Results and discussion · Fig. 3