Spectroscopy — Atomic Ruthenium-Riveted Metal-Organic Framework with Tunable d-Band Modulates Oxygen Redox for Lithium-Oxygen Batteries

9 measurement groups · 19 results

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

EPR of DMSO-extracted electrolyte

Electron paramagnetic resonance

NiRu-HTP nanowire-array electrode on carbon paper · Electrode

electrolytes extracted after discharge/charge; reaction intermediate detection

Context: target cathode
Measurement source: 6 · Mechanistic Analyses · Figures 5b, S24

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
LiO2 intermediate EPR signal	pronounced EPR signals	—	—	Qualitative Qualitative	6 · Mechanistic Analyses · Figures 5b, S24

FTIR

Infrared spectroscopy

Ni-HTP powder · Powder

molecular structure / linker coordination vibrations

Measurement source: 2 · Characterization · Figure S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C-C stretch	1273 cm-1	—	—	Text Exact Reported	2 · Characterization · Figure S5

FTIR

Infrared spectroscopy

NiRu-HTP powder · Powder

molecular structure / linker coordination vibrations

Measurement source: 2 · Characterization · Figure S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C=N stretch	1619 cm-1	—	—	Text Exact Reported	2 · Characterization · Figure S5
C-N stretch after coordination	1513 cm-1	—	—	Text Exact Reported	2 · Characterization · Figure S5

ICP-MS

Bulk elemental and compositional analysis

NiRu-HTP powder · Powder

bulk Ru and Ni contents in NiRu-HTP

Measurement source: 2 · Characterization

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni content in NiRu-HTP	63%	—	—	Text Rounded Reported	2 · Characterization
Ru content in NiRu-HTP	37%	—	—	Text Rounded Reported	2 · Characterization

ICP-MS of separators after cycling

Bulk elemental and compositional analysis

NiRu-HTP nanowire-array electrode on carbon paper · Electrode

separators extracted from Li-O2 batteries after cycling

Context: target cathode stability
Measurement source: 32 · Table S3 · Table S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni content in separator after 50 cycles	0.00%	—	—	SI Table Exact Reported	32 · Table S3 · Table S3
Ru content in separator after 50 cycles	0.00%	—	—	SI Table Exact Reported	32 · Table S3 · Table S3

Ni K-edge XANES/EXAFS

X-ray absorption spectroscopy

Ni-HTP powder · Powder

XAS used to evaluate Ni valence and coordination

Measurement source: 3 · Characterization · Figures 1g,h, S8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni-N fitted bond length	2.28 +/- 0.01 A	—	+/- 0.01 A	SI Table Exact Reported	12 · Figure S8 table · Figure S8
Ni-N fitted coordination number	4	—	—	SI Table Exact Reported	12 · Figure S8 table · Figure S8
Ni-N EXAFS characteristic peak	1.3 A	—	—	Text Rounded Reported	3 · Characterization · Figure 1h

Ru K-edge XANES/EXAFS and WT

X-ray absorption spectroscopy

NiRu-HTP powder · Powder

XAS used to evaluate Ru valence, atomic dispersion and coordination

Measurement source: 3 · Characterization · Figures 1i-k, S8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ru-N fitted bond length	2.01 +/- 0.01 A	—	+/- 0.01 A	SI Table Exact Reported	12 · Figure S8 table · Figure S8
Ru-N fitted coordination number	4	—	—	SI Table Exact Reported	12 · Figure S8 table · Figure S8
Ru-N EXAFS characteristic peak	1.47 A	—	—	Text Exact Reported	3 · Characterization · Figure 1j
Ru-N WT intensity maximum	~5.0 A-1	—	—	Text Approximate	3 · Characterization · Figure 1k

XPS

X-ray photoelectron spectroscopy

Ni-HTP powder · Powder

Ni 2p and N 1s chemical states

Measurement source: 3 · Characterization · Figures 1f, S6b

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni 2p1/2 binding energy	873.1 eV	—	—	Text Exact Reported	3 · Characterization · Figure S6b
Ni 2p3/2 binding energy	855.9 eV	—	—	Text Exact Reported	3 · Characterization · Figure S6b

XPS

X-ray photoelectron spectroscopy

NiRu-HTP powder · Powder

Ru 3p, Ni 2p and N 1s chemical states; Ar+ etching depth profile

Measurement source: 3 · Characterization · Figures 1f, S6, S7

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ru 3p1/2 binding energy	484.9 eV	—	—	Text Exact Reported	3 · Characterization · Figure S6a
Ru 3p3/2 binding energy	462.8 eV	—	—	Text Exact Reported	3 · Characterization · Figure S6a