cMOF Evidence Base
Spectroscopy — Redox-active conductive metal-organic framework with high lithium capacities at low temperatures

Measurement evidence

Spectroscopy

Redox-active conductive metal-organic framework with high lithium capacities at low temperatures · Kumar Y., Kim T.H., Subiyanto I. et al. · Journal of Materials Chemistry A · 2024 · 21732-21743

2 measurement groups · 13 results

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

ex situ XPS, Ni L2,3-edge NEXAFS, in situ FT-IR/PXRD, ex situ SEM

Infrared spectroscopyX-ray photoelectron spectroscopyX-ray diffraction and scatteringScanning electron microscopy

SKIER-5/Super P/PVDF electrode · Electrode

Pristine, first discharge, and first charge states; NEXAFS under ultrahigh vacuum by total electron yield

Temperature
room temperature
Atmosphere
ultrahigh vacuum for NEXAFS
Geometry
cycled electrode
Context
composite electrode after electrochemical cycling
Measurement source
21738 · Charge storage mechanism of SKIER-5 · Figure 4; Figures S16-S19
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
C=N XPS charge-storage peak286.7 eV——Text
Exact Reported		21738 · Charge storage mechanism of SKIER-5 · Figure 4b
C-N XPS charge-storage peak285.5 eV——Text
Exact Reported		21738 · Charge storage mechanism of SKIER-5 · Figure 4b
Ni L2 NEXAFS peakapproximately 876 eV—approximatelyText
Approximate		21738 · Charge storage mechanism of SKIER-5 · Figure S16
Ni L3 NEXAFS peakapproximately 858 eV—approximatelyText
Approximate		21738 · Charge storage mechanism of SKIER-5 · Figure S16
redox electrons per formula mechanismMarked as a best value within this paperthree-electron redox reactions involving TATH and Ni(II)——Text
Exact Reported		21738 · Charge storage mechanism of SKIER-5 · Figure 4a

Ni K-edge XANES/EXAFS, XPS, solid-state 13C NMR and FT-IR

Infrared spectroscopyX-ray photoelectron spectroscopyX-ray absorption spectroscopyNuclear magnetic resonance

SKIER-5 cyan solid powder · Powder

Ni K-edge XAFS at room temperature at 1D KIST-PAL; XPS with Al K-alpha source under 7e-8 Torr

Temperature
room temperature
Atmosphere
high vacuum for XPS; beamline conditions for XAFS
Context
pristine framework powder
Measurement source
21734 · Synthesis and materials characterization · Figure 1f-i; Table S1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Ni-N bond distanceMarked as a best value within this paper2.143 +/- 0.004 Angstrom—+/- 0.004 AngstromSI Table
Exact Reported		S8 · Table S1 · Table S1
Ni-N coordination numberMarked as a best value within this paper4.2 +/- 0.4—+/- 0.4SI Table
Exact Reported		S8 · Table S1 · Table S1
EXAFS R-factor0.001——SI Table
Exact Reported		S8 · Table S1 · Table S1
N 1s anilinic amine peak399.6 eV——Text
Exact Reported		21735 · Synthesis and materials characterization · Figure S13
N 1s quinoid imine peak397.9 eV——Text
Exact Reported		21735 · Synthesis and materials characterization · Figure S13
Ni K-edge XANES shoulder8340 eV shoulder assigned to Ni(II)——Text
Rounded Reported		21734 · Synthesis and materials characterization · Figure 1f
Ni 2p1/2 XPS peak873.29 eV——Text
Exact Reported		21734 · Synthesis and materials characterization · Figure 1g
Ni 2p3/2 XPS peak855.17 eV——Text
Exact Reported		21734 · Synthesis and materials characterization · Figure 1g