Spectroscopy — Nanostructured zinc-doped nickel/iron metal–organic framework electrode material for an efficient energy storage

8 measurement groups · 40 results

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

EDS/EDX

Elemental microanalysis and mapping

Pyrolysed Zn-doped Ni/Fe-MOF-derived carbon powder · Powder

EDS spectrum and element mapping for Zn-doped Ni/Fe-MOF

Context: target composition
Measurement source: main p.6-7 · 3.1 Physical characterization · Fig. 2i

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
EDS elements present	C, Ni, Fe and Zn detected	—	—	Text Qualitative	main p.7 · 3.1 Physical characterization · Fig. 2i

FTIR

Infrared spectroscopy

Zn-doped Ni/Fe-MOF powder before carbonisation · Powder

FTIR spectra recorded over 4000-400 cm-1

Context: framework bonding
Measurement source: main p.8 · 3.1 Physical characterization · Fig. 3b

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
asymmetric COO stretching	1582 cm-1	—	—	Text Rounded Reported	main p.8 · 3.1 Physical characterization · Fig. 3b
symmetric COO stretching	1390 cm-1	—	—	Text Rounded Reported	main p.8 · 3.1 Physical characterization · Fig. 3b
Ni/Fe-O vibration	462 cm-1	—	—	Text Rounded Reported	main p.8 · 3.1 Physical characterization · Fig. 3b
Zn-O stretching	ca. 761 cm-1	—	—	Text Approximate	main p.8 · 3.1 Physical characterization · Fig. 3b

Photoluminescence

Photoluminescence and fluorescence spectroscopy

Zn-doped Ni/Fe-MOF powder before carbonisation · Powder

Recorded at room temperature in 300-600 nm range

Temperature: room temperature
Context: optical/electronic coupling
Measurement source: main p.10-11 · 3.1 Physical characterization · Fig. 4i

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
PL emission maximum	around 346.06 nm	—	—	Text Approximate	main p.11 · 3.1 Physical characterization · Fig. 4i

Raman spectroscopy

Pyrolysed Zn-doped Ni/Fe-MOF-derived carbon powder · Powder

514 nm excitation laser

Context: derived carbon structure
Measurement source: main p.8-9 · 3.1 Physical characterization · Fig. 3c

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
2D band	ca. 2700 cm-1	—	—	Text Approximate	main p.8-9 · 3.1 Physical characterization · Fig. 3c
D band	ca. 1350 cm-1	—	—	Text Approximate	main p.8-9 · 3.1 Physical characterization · Fig. 3c
D' shoulder	ca. 1620 cm-1	—	—	Text Approximate	main p.8-9 · 3.1 Physical characterization · Fig. 3c
G band	ca. 1580 cm-1	—	—	Text Approximate	main p.8-9 · 3.1 Physical characterization · Fig. 3c
Residual metal/oxide low-frequency signal	ca. 430 cm-1	—	—	Text Approximate	main p.8-9 · 3.1 Physical characterization · Fig. 3c

XRD, Raman and FTIR

Infrared spectroscopy Raman spectroscopy X-ray diffraction and scattering

Activated carbon negative electrode · Electrode

Supplementary activated-carbon structural characterisation

Context: negative-electrode component
Measurement source: SI rendered p.2-3 · Supplementary activated carbon characterization · Fig. S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
AC estimated interlayer spacing	ca. 3.6-3.9 A	—	—	Text Range	SI rendered p.2-3 · Supplementary activated carbon characterization · Fig. S1a
AC Raman D band	ca. 1350 cm-1	—	—	Text Approximate	SI rendered p.2-3 · Supplementary activated carbon characterization · Fig. S1b
AC Raman G band	ca. 1580 cm-1	—	—	Text Approximate	SI rendered p.2-3 · Supplementary activated carbon characterization · Fig. S1b
AC XRD broad hump	broad diffraction hump centred near 20-25 degrees 2theta	—	—	Text Range	SI rendered p.2-3 · Supplementary activated carbon characterization · Fig. S1a

TGA/DTG

Thermogravimetric analysis

Zn-doped Ni/Fe-MOF powder before carbonisation · Powder

Under N2 atmosphere at 5 C min-1 heating rate

Atmosphere: N2
Context: thermal stability
Measurement source: main p.10-11 · 3.1 Physical characterization · Fig. 4g-h

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
TGA final stage	350-700 C: degraded MOF to metal oxide nanoparticles	—	—	Text Range	main p.11 · 3.1 Physical characterization · Fig. 4g-h
Suggested heat-processing limit	below 650 C	—	—	Text Approximate	main p.11 · 3.1 Physical characterization · Fig. 4g-h
TGA first stage	100-200 C: adsorbed water and volatile solvents	—	—	Text Range	main p.11 · 3.1 Physical characterization · Fig. 4g-h
TGA second stage	120-180 C: coordinated or trapped DMF	—	—	Text Range	main p.11 · 3.1 Physical characterization · Fig. 4g-h
TGA third stage	ca. 300 C: organic linker decomposition/framework breakdown	—	—	Text Range	main p.11 · 3.1 Physical characterization · Fig. 4g-h

UV-Vis diffuse reflectance / Tauc plot

UV-visible and optical absorption spectroscopy

Zn-doped Ni/Fe-MOF powder before carbonisation · Powder

Agilent Cary 300, 200-800 nm; BaSO4 reflectance standard

Context: semiconducting/electronic structure
Measurement source: main p.9 · 3.1 Physical characterization · Fig. 3g

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Absorption bands	300-500 nm band and broad 500-680 nm peak	—	—	Text Range	main p.9 · 3.1 Physical characterization · Fig. 3g
Optical band gapMarked as a best value within this paper	around 2.16 eV	—	—	Text Approximate	main p.9 · 3.1 Physical characterization · Fig. 3g

XPS

X-ray photoelectron spectroscopy

Zn-doped Ni/Fe-MOF powder before carbonisation · Powder

Al K alpha radiation source, 1486.6 eV

Context: surface composition/oxidation states
Measurement source: main p.10-11 · 3.1 Physical characterization · Fig. 4; Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
XPS atomic percentage C	67.8%	—	—	Table Exact Reported	main p.10 · 3.1 Physical characterization · Table 1
C 1s C=C/C-C binding energy	284.76 eV	—	—	Text Exact Reported	main p.10-11 · 3.1 Physical characterization · Fig. 4
C 1s C-O binding energy	286.32 eV	—	—	Text Exact Reported	main p.10-11 · 3.1 Physical characterization · Fig. 4
Fe2+ 2p1/2 binding energy	723.2 eV	—	—	Text Exact Reported	main p.10-11 · 3.1 Physical characterization · Fig. 4
Fe2+ 2p3/2 binding energy	710.2 eV	—	—	Text Exact Reported	main p.10-11 · 3.1 Physical characterization · Fig. 4
Fe3+ 2p1/2 binding energy	725.7 eV	—	—	Text Exact Reported	main p.10-11 · 3.1 Physical characterization · Fig. 4
Fe3+ 2p3/2 binding energy	711.9 eV	—	—	Text Exact Reported	main p.10-11 · 3.1 Physical characterization · Fig. 4
XPS atomic percentage Fe	4.5%	—	—	Table Exact Reported	main p.10 · 3.1 Physical characterization · Table 1
Ni2+ 2p1/2 binding energy	875.17 eV	—	—	Text Exact Reported	main p.10-11 · 3.1 Physical characterization · Fig. 4
Ni2+ 2p3/2 binding energy	854.89 eV	—	—	Text Exact Reported	main p.10-11 · 3.1 Physical characterization · Fig. 4
XPS atomic percentage Ni	8.3%	—	—	Table Exact Reported	main p.10 · 3.1 Physical characterization · Table 1
O 1s adsorbed water component	533.8 eV	—	—	Text Exact Reported	main p.10-11 · 3.1 Physical characterization · Fig. 4
XPS atomic percentage O	17.3%	—	—	Table Exact Reported	main p.10 · 3.1 Physical characterization · Table 1
O 1s carboxylate component	531.8 eV	—	—	Text Exact Reported	main p.10-11 · 3.1 Physical characterization · Fig. 4
O 1s metal-oxygen component	529.8 eV	—	—	Text Exact Reported	main p.10-11 · 3.1 Physical characterization · Fig. 4
Zn 2p1/2 binding energy	1043.03 eV	—	—	Text Exact Reported	main p.10-11 · 3.1 Physical characterization · Fig. 4
Zn 2p3/2 binding energy	1022.04 eV	—	—	Text Exact Reported	main p.10-11 · 3.1 Physical characterization · Fig. 4
XPS atomic percentage Zn	2.1%	—	—	Table Exact Reported	main p.10 · 3.1 Physical characterization · Table 1