cMOF Evidence Base
Diffraction Structure — In Situ Construction of Amide-Functionalized 2D Conjugated Metal-Organic Frameworks with Multiple Active Sites for High-Performance Potassium-Ion Batteries

Measurement evidence

Diffraction Structure

In Situ Construction of Amide-Functionalized 2D Conjugated Metal-Organic Frameworks with Multiple Active Sites for High-Performance Potassium-Ion Batteries · Su X., Cheng L., Yan X. et al. · Journal of the American Chemical Society · 2025 · 18338-18348

3 measurement groups · 29 results

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

synchrotron PXRD/Rietveld plus SEM/HRTEM after cycling

X-ray diffraction and scatteringScanning electron microscopyTransmission electron microscopy

Cu-HBB-MOF cathode electrode in CR2025 potassium half-cell · Electrode

pristine, discharged and charged states; long-term cycled state

Geometry
cycled cathode electrode
Context
MOF/Super P/PVDF electrode composite
Measurement source
p008 / 18345 · K+ storage mechanism · Figures S38-S42; Tables S10-S16
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
PXRD stability under cyclingno significant changes in diffraction patterns——Qualitative
Qualitative		p008 / 18345 · K+ storage mechanism · Figure S38
Cu...C distance after long-term cycling2.64 A——SI Table
Exact Reported		S45 · Section 12 · Table S16
Cu-O distance after long-term cycling1.91 A——SI Table
Exact Reported		S45 · Section 12 · Table S16
Rietveld a=b charge_3p8v43.6 A——SI Table
Rounded Reported		S38-S42 · Section 12 · Tables S10-S14
Rietveld c charge_3p8v3.029 A——SI Table
Rounded Reported		S38-S42 · Section 12 · Tables S10-S14
Rietveld chi2 charge_3p8v1.13——SI Table
Exact Reported		S38-S42 · Section 12 · Tables S10-S14
Rietveld Rwp charge_3p8v2.14%——SI Table
Exact Reported		S38-S42 · Section 12 · Tables S10-S14
Rietveld volume charge_3p8v4988 A3——SI Table
Exact Reported		S38-S42 · Section 12 · Tables S10-S14
Rietveld a=b discharge_1v43.69 A——SI Table
Rounded Reported		S38-S42 · Section 12 · Tables S10-S14
Rietveld c discharge_1v3.0321 A——SI Table
Rounded Reported		S38-S42 · Section 12 · Tables S10-S14
Rietveld chi2 discharge_1v1.04——SI Table
Exact Reported		S38-S42 · Section 12 · Tables S10-S14
Rietveld Rwp discharge_1v1.86%——SI Table
Exact Reported		S38-S42 · Section 12 · Tables S10-S14
Rietveld volume discharge_1v5011 A3——SI Table
Exact Reported		S38-S42 · Section 12 · Tables S10-S14
Rietveld a=b pristine43.7 A——SI Table
Rounded Reported		S38-S42 · Section 12 · Tables S10-S14
Rietveld c pristine3.1 A——SI Table
Rounded Reported		S38-S42 · Section 12 · Tables S10-S14
Rietveld chi2 pristine1.19——SI Table
Exact Reported		S38-S42 · Section 12 · Tables S10-S14
Rietveld Rwp pristine2.96%——SI Table
Exact Reported		S38-S42 · Section 12 · Tables S10-S14
Rietveld volume pristine5130 A3——SI Table
Exact Reported		S38-S42 · Section 12 · Tables S10-S14

synchrotron PXRD and Rietveld refinement

X-ray diffraction and scattering

as-synthesised Cu-HBB-MOF black powder · Powder

BL17B/BL17B1 SSRF, lambda = 1.2398 A; 2theta 2-30 deg full-profile Rietveld

Geometry
powder diffraction
Context
pristine powder
Measurement source
p003 / 18340 · Crystalline Structure · Figure 1b; Tables S3-S4
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
unit cell a=ba = b = 43.95(6) A——SI Table
Exact Reported		S23 · Section 9 · Table S3
unit cell cc = 3.0258(18) A——SI Table
Exact Reported		S23 · Section 9 · Table S3
Rietveld chi-squared1.05——SI Table
Exact Reported		S23 · Section 9 · Table S3
main PXRD peak assigned to (110)3.18 deg 2theta——Text
Rounded Reported		p003 / 18340 · Crystalline Structure · Figure 1b
Rietveld Rwp1.50%——SI Table
Exact Reported		S23 · Section 9 · Table S3
space groupP6/mmm——SI Table
Exact Reported		S23 · Section 9 · Table S3

synchrotron PXRD and Rietveld refinement

X-ray diffraction and scattering

as-synthesised Cu-Salphen-MOF black powder · Powder

BL17B/BL17B1 SSRF, lambda = 1.2398 A; 2theta 2-30 deg full-profile Rietveld

Geometry
powder diffraction
Context
pristine powder
Measurement source
p003 / 18340 · Crystalline Structure · Figure 1e; Tables S5-S6
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
unit cell a=ba = b = 43.93(5) A——SI Table
Exact Reported		S25 · Section 9 · Table S5
unit cell cc = 3.0280(13) A——SI Table
Exact Reported		S25 · Section 9 · Table S5
Rietveld chi-squared1.03——SI Table
Exact Reported		S25 · Section 9 · Table S5
main PXRD peak assigned to (110)3.14 deg 2theta——Text
Rounded Reported		p003 / 18340 · Crystalline Structure · Figure 1e
Rietveld Rwp1.47%——SI Table
Exact Reported		S25 · Section 9 · Table S5