cMOF Evidence Base
Diffraction Structure — Promoting ethylene production over a wide potential window on Cu crystallites induced and stabilized via current shock and charge delocalization

Measurement evidence

Diffraction Structure

Promoting ethylene production over a wide potential window on Cu crystallites induced and stabilized via current shock and charge delocalization · Sun H., Chen L., Xiong L. et al. · Nature Communications · 2021 · 6823

3 measurement groups · 13 results

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

Powder X-ray diffraction and TEM

X-ray diffraction and scatteringTransmission electron microscopy

As-synthesised Cu3(HHTP)2 powder · Powder

Structural and morphology checks of synthesised Cu3(HHTP)2 analogue.

Geometry
powder/TEM grid
Context
pristine Cu3(HHTP)2 analogue
Measurement source
16-17 · Figures and Tables · Supplementary Figs. 30-31
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Cu3(HHTP)2 TEM morphologyTEM images of Cu3(HHTP)2 show rod-like particles——Visual Estimate
Qualitative		17 · Figures and Tables · Supplementary Fig. 31
Cu3(HHTP)2 XRD patternXRD pattern of Cu3(HHTP)2 shown alongside Cu3(HITP)2——Caption
Qualitative		16 · Figures and Tables · Supplementary Fig. 30

Powder X-ray diffraction

X-ray diffraction and scattering

As-synthesised Cu3(HITP)2 powder · Powder

Crystalline phase of as-synthesised Cu3(HITP)2, Bruker D8 Advance, Cu-Kalpha radiation.

Geometry
powder
Context
pristine Cu3(HITP)2
Measurement source
2 · Structural characterization of Cu3(HITP)2 · Fig. 1d
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Cu3(HITP)2 XRD peak regionprominent diffraction peaks between 3 degrees and 30 degrees matched reported Cu3(HITP)2——Text
Range		2 · Structural characterization of Cu3(HITP)2 · Fig. 1d

Ex situ time-lapse XRD and TEM after chronoamperometric CO2RR

X-ray diffraction and scatteringTransmission electron microscopyChronoamperometry

Post-electrolytic KB@Cu3(HITP)2 after CO2RR · Electrode

-1.25 V versus RHE, CO2RR testing periods of 0.25, 1, 5 and 10 h; XRD catalyst on carbon paper.

Atmosphere
Post-CO2RR
Geometry
1 mg powder catalyst loaded on 1 x 1 cm2 carbon paper for ex situ time-lapse XRD
Context
post-electrolytic KB@Cu3(HITP)2 compared with Cu3(HITP)2
Measurement source
5 · Ex situ time-lapse XRD and TEM · Fig. 4; Supplementary Table 2
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Debye-Scherrer Cu particle size for Cu3(HITP)2 at 0.25 h18.7 nm——SI Table
Exact Reported		21 · Figures and Tables · Supplementary Table 2
Debye-Scherrer Cu particle size for Cu3(HITP)2 at 10 h52.3 nm——SI Table
Exact Reported		21 · Figures and Tables · Supplementary Table 2
Debye-Scherrer Cu particle size for KB@Cu3(HITP)2 at 0.25 h15.5 nm——SI Table
Exact Reported		21 · Figures and Tables · Supplementary Table 2
Debye-Scherrer Cu particle size for KB@Cu3(HITP)2 at 10 h14.5 nm——SI Table
Exact Reported		21 · Figures and Tables · Supplementary Table 2
TEM-observed Cu particle size in Cu3(HITP)2 after 0.25 h11 +/- 3 nm—+/- 3 nmText
Exact Reported		5 · Ex situ time-lapse XRD and TEM · Fig. 4g-j
TEM-observed Cu particle size in Cu3(HITP)2 after 10 h39 +/- 8 nm—+/- 8 nmText
Exact Reported		5 · Ex situ time-lapse XRD and TEM · Fig. 4g-j
TEM-observed Cu nanoparticle size in KB@Cu3(HITP)2 after 0.25 h10 +/- 2 nm—+/- 2 nmText
Exact Reported		5 · Ex situ time-lapse XRD and TEM · Fig. 4c-f
Cu(111) peak position43.3 degrees——Text
Exact Reported		5 · Ex situ time-lapse XRD and TEM · Fig. 4a-b
Cu(200) peak position50.4 degrees——Text
Exact Reported		5 · Ex situ time-lapse XRD and TEM · Fig. 4b
Time for MOF XRD peaks to disappear in KB@Cu3(HITP)2after just 0.25 h——Text
Exact Reported		5 · Ex situ time-lapse XRD and TEM · Fig. 4a