Diffraction Structure — Stabilization of Hexaaminobenzene in a 2D Conductive Metal-Organic Framework for High Power Sodium Storage

3 measurement groups · 12 results

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

PXRD and N2 sorption after chemical/electrolyte exposure

X-ray diffraction and scattering Gas sorption and porosity

Co-HAB-D optimised mixed-solvent product · Powder

Chemical stability in H2O, 0.1 M HCl, saturated 12 M NH4OH and 0.1 M KOH; electrolyte soaking in LiPF6 EC/DEC and NaPF6 DEGDME for 24 h at RT; PXRD and N2 sorption checked after washing/activation.

Temperature: about 298 exposure; 77 for N2 sorption
Atmosphere: aqueous/electrolyte media
Geometry: powder samples
Context: pristine framework
Measurement source: SI p.S10 · Chemical and thermal stability tests · Fig. 2g-i

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Framework integrity after chemical treatment	PXRD and N2 sorption indicate Co-HAB maintains framework integrity	—	—	Text Qualitative	main p.10319 · Results and Discussion · Fig. 2g-i
Aqueous chemical stability media	H2O, 0.1 M HCl, saturated 12 M NH4OH, and 0.1 M KOH	—	—	Text Qualitative	SI p.S10 · Chemical and thermal stability tests · Fig. 2g,h
Electrolyte stability media	1 M LiPF6 in EC/DEC and 1 M NaPF6 in DEGDME for 24 h at RT	—	—	Text Exact Reported	SI p.S10 · Chemical and thermal stability tests · Fig. 2i

Synchrotron PXRD and Pawley profile fitting

X-ray diffraction and scattering

Co-HAB-D optimised mixed-solvent product · Powder

Synchrotron PXRD at 17-BM, Advanced Photon Source; lambda = 0.45212 A; hexagonal cell refinement.

Temperature: 298
Atmosphere: capillary PXRD; atmosphere not specified
Geometry: powder sample
Context: pristine framework
Measurement source: SI p.S7 · Transmission electron microscopic (TEM) analysis · Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Pawley GOF	GOF = 1.181	—	—	SI Table Exact Reported	SI p.S7 · Table S1 · Table S1
Pawley Rp	Rp = 0.00624	—	—	SI Table Exact Reported	SI p.S7 · Table S1 · Table S1
Pawley Rwp	Rwp = 0.00882	—	—	SI Table Exact Reported	SI p.S7 · Table S1 · Table S1
PXRD d001 spacing	d001 = 3.08 A	—	—	Text Rounded Reported	main p.10317 · Results and Discussion · Fig. 1e
PXRD d010 spacing	d010 = 11.57 A	—	—	Text Rounded Reported	main p.10317 · Results and Discussion · Fig. 1e
Pawley-refined space group	P6/mmm	—	—	SI Table Exact Reported	SI p.S7 · Table S1 · Table S1
Hexagonal unit cell a=b	a = b = 13.361(3) A	—	(3)	SI Table Exact Reported	SI p.S7 · Table S1 · Table S1
Hexagonal unit cell c	c = 3.082(1) A	—	(1)	SI Table Exact Reported	SI p.S7 · Table S1 · Table S1

PXRD and N2 sorption after thermal treatment

X-ray diffraction and scattering Gas sorption and porosity

Co-HAB-D optimised mixed-solvent product · Powder

As-synthesised samples degassed on Autosorb IQ2 for 2 h at 80, 150, 200, 250 and 300 C; N2 sorption at 77 K and PXRD used to confirm crystallinity.

Temperature: 353-573 treatment range; 77 for N2 sorption
Atmosphere: degassing/vacuum implied; N2 sorption at 77 K
Geometry: powder samples
Context: pristine framework
Measurement source: SI p.S10-S11 · Chemical and thermal stability tests · Fig. S8

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Maximum tested thermal stability	PXRD and N2 sorption remain nearly unaltered after heat treatments up to 300 C	—	—	Text Rounded Reported	main p.10319 · Results and Discussion · Fig. S8