cMOF Evidence Base
Diffraction Structure — Conductive 2D metal-organic framework for high-performance cathodes in aqueous rechargeable zinc batteries

Measurement evidence

Diffraction Structure

Conductive 2D metal-organic framework for high-performance cathodes in aqueous rechargeable zinc batteries · Nam K.W., Park S.S., dos Reis R. et al. · Nature Communications · 2019 · 4948

2 measurement groups · 11 results

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

ex situ PXRD during discharge-charge

X-ray diffraction and scattering

fully discharged Cu3(HHTP)2 electrode · Electrode

PXRD on Cu3(HHTP)2 electrode in pristine, first fully discharged, first fully charged, and 500th fully charged states.

Atmosphere
glove-box handling before measurement
Geometry
electrode
Context
discharge/charge states of composite cathode
Measurement source
rendered pages 6 and 7 / article pp.6-7 · Structure analysis during discharge-charge · Figure 5a
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
absence of Zn(OH)2 analogue peaksno appearance or disappearance of peaks other than Zn2+ insertion peak shifts——Text
Qualitative		rendered page 6 / article p.6 · Structure analysis during discharge-charge · Figure 5a
discharged pore size inferred from PXRD (100)18.7 A——Text
Rounded Reported		rendered page 6 / article p.6 · Structure analysis during discharge-charge · Figure 5a
pristine pore size inferred from PXRD (100)19.3 A——Text
Rounded Reported		rendered page 6 / article p.6 · Structure analysis during discharge-charge · Figure 5a
(100) PXRD peak shift on discharge4.70 deg to 4.85 deg——Text
Rounded Reported		rendered page 6 / article p.6 · Structure analysis during discharge-charge · Figure 5a
PXRD peak recovery after charge and long cyclingcharged electrode peaks return fully; 500th charged PXRD identical to pristine——Text
Qualitative		rendered page 6 / article p.6 · Structure analysis during discharge-charge · Figure 5a

PXRD with Rietveld refinement

X-ray diffraction and scattering

as-synthesised Cu3(HHTP)2 powder / nanorods · Powder

PXRD with Cu-Kalpha1 radiation in transmission geometry; 2theta range 2-90 deg, step 0.015 deg, 40 kV and 40 mA.

Context
pristine framework
Measurement source
rendered pages 2 and 8 / article pp.2 and 8 · Results; Methods - Characterization · Figure 2a
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
lattice parameter a=ba = b = 21.2 A——Text
Rounded Reported		rendered page 2 / article p.2 · Results - Synthesis and characterization · Figure 2a
lattice parameter cc = 6.6 A——Text
Rounded Reported		rendered page 2 / article p.2 · Results - Synthesis and characterization · Figure 2a
Rietveld chi squaredchi2 = 3.06——Text
Exact Reported		rendered page 2 / article p.2 · Results - Synthesis and characterization · Figure 2a
Rietveld RpRp = 3.41——Text
Exact Reported		rendered page 2 / article p.2 · Results - Synthesis and characterization · Figure 2a
Rietveld RwpRwp = 4.52——Text
Exact Reported		rendered page 2 / article p.2 · Results - Synthesis and characterization · Figure 2a
space groupP6/mmm——Text
Exact Reported		rendered page 2 / article p.2 · Results - Synthesis and characterization · Figure 2a