Diffraction Structure — Interconnected Lamellar 3D Semiconductive PCP for Rechargeable Aqueous Zinc Battery Cathodes

3 measurement groups · 20 results

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

Synchrotron total scattering pair distribution function (PDF) and RDF

X-ray diffraction and scattering

As-prepared VO-HHTP black powder · Powder

SPring-8 BL13XU lambda = 0.353887 A; PDFgetX3/PDFgui analysis and XAFS-derived RDF.

Geometry: powder total scattering
Context: pristine framework powder
Measurement source: p.3-p.4 / article p.2411386-3 to 4 · Results and Discussion · Figure 2f,g; Figures S3-S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Stacking assignment from PDF	eclipsed stacking along the c-axis	—	—	Qualitative Qualitative	p.4 / article p.2411386-4 · Results and Discussion · Figure 2g,h
PDF peak A honeycomb parallel-wall distance	21.52 A	—	—	Text Rounded Reported	p.4 / article p.2411386-4 · Results and Discussion · Figure 2f,g
PDF peak b / V=O bond length	1.59 A	—	—	Text Rounded Reported	p.4 / article p.2411386-4 · Results and Discussion · Figure 2f,g
PDF peak f aligned adjacent-layer pairs	3.45 A	—	—	Text Rounded Reported	p.4 / article p.2411386-4 · Results and Discussion · Figure 2f,g
PDF peak g misaligned adjacent-layer pairs	3.74 A	—	—	Text Rounded Reported	p.4 / article p.2411386-4 · Results and Discussion · Figure 2f,g

Synchrotron powder X-ray diffraction with Pawley refinement

X-ray diffraction and scattering

As-prepared VO-HHTP black powder · Powder

SPring-8 BL02B2, lambda = 0.7995879 A; Pawley refinement using Topas3.

Temperature: 300
Geometry: powder diffraction
Context: pristine framework powder
Measurement source: p.2 / article p.2411386-2 · Results and Discussion · Figure 2b; Table S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Unit cell a	a = 21.37 A	—	—	SI Table Exact Reported	SI p.13 / rendered p014 · Supporting tables · Table S2
Unit cell b	b = 21.37 A	—	—	SI Table Exact Reported	SI p.13 / rendered p014 · Supporting tables · Table S2
Unit cell c	c = 6.85 A	—	—	SI Table Exact Reported	SI p.13 / rendered p014 · Supporting tables · Table S2
002 plane d spacing	3.43 A	—	—	Text Rounded Reported	p.2 / article p.2411386-2 · Results and Discussion · Figure S2
002 diffraction peak	13.30 degrees	—	—	Text Rounded Reported	p.2 / article p.2411386-2 · Results and Discussion · Figure S2
100 diffraction peak	2.46 degrees	—	—	Text Rounded Reported	p.2 / article p.2411386-2 · Results and Discussion · Figure S2
200 diffraction peak	4.92 degrees	—	—	Text Rounded Reported	p.2 / article p.2411386-2 · Results and Discussion · Figure S2
Pawley Rp	1.42%	—	—	SI Table Exact Reported	SI p.13 / rendered p014 · Supporting tables · Table S2
Pawley Rwp	1.86%	—	—	SI Table Exact Reported	SI p.13 / rendered p014 · Supporting tables · Table S2
Space group	P-3c1	—	—	SI Table Exact Reported	SI p.13 / rendered p014 · Supporting tables · Table S2
Refinement temperature	300 K	—	—	SI Table Exact Reported	SI p.13 / rendered p014 · Supporting tables · Table S2
Cell volume	2709.05 A3	—	—	SI Table Exact Reported	SI p.13 / rendered p014 · Supporting tables · Table S2
PXRD wavelength	0.7995879 A	—	—	SI Table Exact Reported	SI p.13 / rendered p014 · Supporting tables · Table S2

Thermogravimetric analysis and variable-temperature PXRD

X-ray diffraction and scattering Thermogravimetric analysis

As-prepared VO-HHTP black powder · Powder

TGA at 5 C min-1 under N2 flow; VT-PXRD in vacuum with temperature control.

Atmosphere: N2 for TGA; vacuum for VT-PXRD
Context: pristine as-prepared and activated powders
Measurement source: p.4 / article p.2411386-4 · Results and Discussion · Figure S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
TG mass loss on activation	10.55% mass drop	—	—	Figure Axis Approximate	SI p.4 / rendered p005 · Supporting figures · Figure S5a
VT-PXRD structural stability	consistent PXRD patterns throughout heating	—	—	Qualitative Qualitative	p.4 / article p.2411386-4 · Results and Discussion · Figure S5b