Spectroscopy — Bimetallic conductive MOF single crystals designed as high-performance anodes for lithium-ion batteries

4 measurement groups · 39 results

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

Ex-situ XPS during first cycle

X-ray photoelectron spectroscopy

CNH electrode after cycling · Electrode

CNH electrode XPS at pristine, charged to 3.0 V and discharged to 0.01 V states.

Atmosphere: room temperature
Geometry: CR2025 Li half-cell
Context: cycled target composite electrode
Measurement source: p.8 · Results and discussion · Fig. 8; Fig. S14

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CNH C-C peak stability during cycling	C-C peak at 284.8 eV is consistent with original state	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. 8c
Charged CNH Co 2p1/2	797.25 eV	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. 8a
Charged CNH Co 2p3/2	781.21 eV	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. 8a
Discharged CNH Co 2p1/2	796.98 eV	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. 8a
Discharged CNH Co 2p3/2	781.11 eV	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. 8a
Pristine CNH Co 2p1/2	797.28 eV	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. 8a
Pristine CNH Co 2p3/2	781.34 eV	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. 8a
F content after charging	34.5%	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. S14
F content after discharging	32.23%	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. S14
Discharged-state Li-C peakMarked as a best value within this paper	289.03 eV	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. 8c
Charged CNH Ni 2p1/2	873.86 eV	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. 8b
Charged CNH Ni 2p3/2	856.76 eV	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. 8b
Discharged CNH Ni 2p1/2	873.61 eV	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. 8b
Discharged CNH Ni 2p3/2	855.44 eV	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. 8b
Pristine CNH Ni 2p1/2	874.58 eV	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. 8b
Pristine CNH Ni 2p3/2	856.84 eV	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. 8b
P content after charging	3.73%	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. S14
P content after discharging	3.72%	—	—	Text Exact Reported	p.8 · Results and discussion · Fig. S14

FT-IR spectroscopy

Infrared spectroscopy

CNH as-synthesised powder · Powder

PerkinElmer Frontier FT-IR spectra of CNH and CH.

Context: target pristine framework with control comparison
Measurement source: p.3-p.4 · Physical characterization; Results · Fig. 2b

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
FTIR C=O stretching band	1640 cm^-1	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. 2b
CH Co-O FTIR band	840 cm^-1 in CH; disappeared/weakened in CNH	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. 2b
FTIR O-H stretching peak	3440 cm^-1	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. 2b
FTIR semiquinone band	1453 cm^-1	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. 2b

High-resolution XPS

X-ray photoelectron spectroscopy

CNH as-synthesised powder · Powder

High-resolution Co 2p, Ni 2p, C 1s and O 1s spectra of CNH.

Context: target pristine framework
Measurement source: p.4 · Results and discussion · Fig. S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CNH C 1s C-C component	284.80 eV	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. S5c
CNH C 1s C=C component	284.17 eV	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. S5c
CNH C 1s C=O component	288.30 eV	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. S5c
CNH C 1s C-O component	285.97 eV	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. S5c
CNH Co 2p1/2 binding energy	797.28 eV	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. S5a
CNH Co 2p3/2 binding energy	781.34 eV	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. S5a
CNH Co 2p satellite feature, higher binding energy	802.61 eV	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. S5a
CNH Co 2p satellite feature, lower binding energy	785.44 eV	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. S5a
CNH Ni 2p1/2 binding energy	874.58 eV	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. S5b
CNH Ni 2p3/2 binding energy	856.84 eV	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. S5b
CNH Ni 2p satellite feature, higher binding energy	881.65 eV	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. S5b
CNH Ni 2p satellite feature, lower binding energy	861.98 eV	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. S5b
CNH O 1s M-O component	530.85 eV	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. S5d

X-ray photoelectron spectroscopy survey

X-ray photoelectron spectroscopy

CNH as-synthesised powder · Powder

Thermo Scientific ESCALAB 250Xi; CNH survey spectrum.

Context: target pristine framework
Measurement source: p.4 · Results and discussion · Fig. S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CNH survey XPS C 1s peak	284.76 eV	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. S4
CNH survey XPS Co 2p peak	781.84 eV	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. S4
CNH survey XPS Ni 2p peak	855.49 eV	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. S4
CNH survey XPS O 1s peak	531.07 eV	—	—	Text Exact Reported	p.4 · Results and discussion · Fig. S4