cMOF Evidence Base
Diffraction Structure — Coordination environment dependent selectivity of single-site-Cu enriched crystalline porous catalysts in CO2 reduction to CH4

Measurement evidence

Diffraction Structure

Coordination environment dependent selectivity of single-site-Cu enriched crystalline porous catalysts in CO2 reduction to CH4 · Zhang Y., Dong L.-Z., Li S. et al. · Nature Communications · 2021 · 6390

4 measurement groups · 13 results

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

post-test XRD and SEM on comparator electrodes

X-ray diffraction and scatteringScanning electron microscopy

Cu-HHTP modified GDL-carbon paper electrode · Electrode

Fresh and tested Cu-HHTP, Cu-TTCOF and Cu-PPCOF modified GDL-carbon paper electrodes

Geometry
GDL-carbon paper electrodes
Context
composite application electrodes
Measurement source
p006 · ECR performances · Supplementary Figs. 28-29
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Cu-HHTP post-test phase changeCu2O phase generates after electrolysis——Text
Qualitative		p006 · ECR performances · Supplementary Fig. 28a
Cu-PPCOF post-test structural stabilityno phase transition or obvious structural change——Text
Qualitative		p006 · ECR performances · Supplementary Fig. 28
Cu-TTCOF post-test structural stabilityno phase transition or obvious structural change——Text
Qualitative		p006 · ECR performances · Supplementary Fig. 28

PXRD and SEM of comparator frameworks

X-ray diffraction and scatteringScanning electron microscopy

as-prepared Cu-HHTP crystals/powder · Powder

As-prepared Cu-HHTP, Cu-TTCOF and Cu-PPCOF compared with simulated XRD patterns

Context
pristine comparator frameworks
Measurement source
p005 · ECR performances · Supplementary Figs. 17-19
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource

post-test XRD/Raman/SEM/XPS

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

Cu-DBC modified GDL-carbon paper electrode · Electrode

Fresh and tested Cu-DBC modified GDL-carbon paper electrodes after electrolysis

Geometry
GDL-carbon paper electrode
Context
composite application electrode
Measurement source
p005 · ECR-to-CH4 performance · Fig. 2f; Supplementary Figs. 14-16; Supplementary Table 4
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
post-test phase stability by XRDno phase transition or obvious structural change——Text
Qualitative		p005 · ECR-to-CH4 performance · Fig. 2f
Raman Cu-O4 peak234.4 cm-1——Text
Exact Reported		p005 · ECR-to-CH4 performance · Supplementary Fig. 15a
Raman D peak1346 cm-1——Text
Exact Reported		p005 · ECR-to-CH4 performance · Supplementary Fig. 15a
Raman G peak1596 cm-1——Text
Exact Reported		p005 · ECR-to-CH4 performance · Supplementary Fig. 15a
Cu 2p XPS area for after electrocatalysis Cu(I)13.1%——SI Table
Exact Reported		p016 text layer · Supplementary Table 4 · Supplementary Table 4
Cu 2p XPS area for after electrocatalysis Cu(II)86.9%——SI Table
Exact Reported		p016 text layer · Supplementary Table 4 · Supplementary Table 4
Cu 2p XPS area for fresh Cu(I)15.4%——SI Table
Exact Reported		p016 text layer · Supplementary Table 4 · Supplementary Table 4
Cu 2p XPS area for fresh Cu(II)84.6%——SI Table
Exact Reported		p016 text layer · Supplementary Table 4 · Supplementary Table 4

PXRD; topological/structure assignment

X-ray diffraction and scattering

as-synthesised Cu-DBC powder/nanorods · Powder

Cu-DBC powder compared with simulated pattern; Cu-O4 coordination and dia topology assigned

Context
pristine framework
Measurement source
p002-p003 · Results - Synthesis and characterizations · Fig. 1a-b; Supplementary Fig. 1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Cu-DBC channel/pore size from structure~1.0 nm——Text
Approximate		p002 · Results · Fig. 1a
Cu-DBC topologyfourfold interpenetration dia topology——Text
Qualitative		p002 · Results · Supplementary Fig. 1