Diffraction Structure — Growth mechanisms and anisotropic softness-dependent conductivity of orientation-controllable metal-organic framework nanofilms

9 measurement groups · 20 results

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

GIWAXS/PXRD structural assignment

X-ray diffraction and scattering

Cu1.0 P0.1-20C · Thin Film

Hexagonal Cu-HHTP structure and face-on orientation from GIWAXS profiles/images.

Context: pristine Cu-HHTP unless noted
Measurement source: p002 · Syntheses and Structures · Fig. 1; Fig. 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu-HHTP a=b cell parameter	a = b = 21.75 A	—	—	Text Exact Reported	p002 · Syntheses and Structures · Fig. 1
Cu-HHTP c cell parameter	c = 6.66 A	—	—	Text Exact Reported	p002 · Syntheses and Structures · Fig. 1
face-on orientation assignment	c-orientation / face-on 2D planes on substrate	—	—	Text Qualitative	p002 · Syntheses and Structures · Fig. 2A-B

GIWAXS orientation analysis

X-ray diffraction and scattering

Cu0.1 P2.0-20C · Thin Film

Edge-on/a-b oriented Cu-HHTP from in-plane/out-of-plane profiles and GIWAXS image.

Context: pristine Cu-HHTP unless noted
Measurement source: p003 · Syntheses and Structures · Fig. 2C; SI Fig. S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
edge-on calculated HHTP density	4.3 to 8.5 nm-2	—	—	Text Range	p003 · Cycle-Dependent Properties · SI Fig. S2
edge-on orientation assignment	c-axis parallel to substrate; a/b oriented nanofilm	—	—	Text Qualitative	p003 · Syntheses and Structures · Fig. 2C
edge-on Cu0.1 P2.0 growth rate	~3 nm per cycle	—	—	Text Approximate	p003 · Cycle-Dependent Properties · SI Fig. S2

operando GIWAXS under RH air

X-ray diffraction and scattering

edge-on Cu0.1 P2.0-20C-on-Cu-BTC-10C · Thin Film

Edge-on Cu0.1 P2.0-20C-on-Cu-BTC exposed to dry air and RH air at RT.

Temperature: 298
Atmosphere: dry air and 70% RH air
Context: pristine Cu-HHTP unless noted
Measurement source: SI p054 · Fig. S49 · Fig. S49

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
edge-on Cu-HHTP-on-Cu-BTC RH expansion	~1.7% along [100]/[200] of Cu-HHTP or [220] of Cu-BTC	—	—	Caption Approximate	SI p054 · Fig. S49 · Fig. S49

operando GIWAXS under RH air

X-ray diffraction and scattering

face-on Cu-HHTP-40C-on-Cu-BTC-10C · Thin Film

Face-on Cu-HHTP-on-Cu-BTC thin film exposed to dry air and 70% RH air at RT.

Temperature: 298
Atmosphere: dry air and 70% RH air
Context: pristine Cu-HHTP unless noted
Measurement source: SI p052 · Fig. S47 · Fig. S47-S48

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
bottom Cu-BTC [220]/[222] expansion	>2.0%	—	—	Caption Approximate	SI p053 · Fig. S48 · Fig. S48
Cu-HHTP-on-Cu-BTC [002] expansion	~2.5%	—	—	Caption Approximate	SI p052 · Fig. S47 · Fig. S47
Cu-HHTP-on-Cu-BTC [200] expansion	~0.9%	—	—	Caption Approximate	SI p052 · Fig. S47 · Fig. S47

grazing-angle GIWAXS

X-ray diffraction and scattering

face-on Cu-HHTP-40C-on-Cu-BTC-10C · Thin Film

Depth-sensitive GIWAXS of MoM bilayers/trilayers from 0.06 to 0.50 degrees.

Context: pristine Cu-HHTP unless noted
Measurement source: SI p035 · MoM supporting text · Fig. S30-S36

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
MoM bilayer structure support	GIWAXS at 0.10 and 0.15 degrees supports bilayer structure	—	—	Text Qualitative	SI p035 · MoM supporting text · Fig. S30-S36

operando GIWAXS-Sensor with simultaneous resistance

X-ray diffraction and scattering

Cu0.1 P2.0-20C · Thin Film

Dry air, 30% RH and 70% RH air at RT; edge-on a/b lattice softness tracked.

Temperature: 298
Atmosphere: dry air, 30% RH air, 70% RH air
Geometry: polymer-free Al GIWAXS-Sensor chamber; DC voltage applied
Context: pristine Cu-HHTP unless noted
Measurement source: p005 · Anisotropic Softness-Conductivity · Fig. 5C,E,F; SI Fig. S41

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
002 lattice expansion at RH	negligible	—	—	Text Approximate	p005 · Anisotropic Softness-Conductivity · Fig. 5C,E
200/020 lattice expansion at RH	2.6%	—	—	Text Exact Reported	p005 · Anisotropic Softness-Conductivity · Fig. 5E,F

operando GIWAXS-Sensor

X-ray diffraction and scattering

Cu0.1 P0.1-30C · Thin Film

Dry/RH air exposure at RT for face-on Cu0.1 P0.1-30C.

Temperature: 298
Atmosphere: dry air and RH air
Geometry: polymer-free Al GIWAXS-Sensor chamber
Context: pristine Cu-HHTP unless noted
Measurement source: p005 · Anisotropic Softness-Conductivity · Fig. 5F; SI Fig. S39

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
002 lattice expansion under RH	2.5%	—	—	Text Exact Reported	p005 · Anisotropic Softness-Conductivity · SI Fig. S39
200/020 lattice expansion under RH	0.0%	—	—	Text Exact Reported	p005 · Anisotropic Softness-Conductivity · Fig. 5F

operando GIWAXS-Sensor with simultaneous resistance

X-ray diffraction and scattering

Cu1.0 P0.1-20C · Thin Film

Dry air/RH air exposure at RT under DC bias; lattice expansion and conductivity decrease tracked.

Temperature: 298
Atmosphere: dry air and 70% RH air
Geometry: polymer-free Al GIWAXS-Sensor chamber; DC voltage applied
Context: pristine Cu-HHTP unless noted
Measurement source: p005 · Anisotropic Softness-Conductivity · Fig. 5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
002 lattice expansion at 70% RH	3.8%	—	—	Text Exact Reported	p005 · Anisotropic Softness-Conductivity · Fig. 5B,D
200/020 lattice expansion at 70% RH	0.9%	—	—	Text Exact Reported	p005 · Anisotropic Softness-Conductivity · Fig. 5D,F
maximum conductivity modulation	up to two orders of magnitude	—	—	Text Approximate	p006 · Conclusions · Fig. 5F; SI Fig. S42-S44

in-situ synchrotron PXRD

X-ray diffraction and scattering

Cu-HHTP nanocrystals · Powder

Cu-HHTP nanocrystals under vacuum and 100% RH air at RT.

Temperature: 298
Atmosphere: vacuum and 100% RH air
Context: pristine Cu-HHTP unless noted
Measurement source: p006 · Anisotropic Softness-Conductivity · SI Fig. S45

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
nanocrystal 002 expansion at RH	2.5%	—	—	Text Exact Reported	p006 · Anisotropic Softness-Conductivity · SI Fig. S45
nanocrystal 200/020 expansion at RH	1.6%	—	—	Text Exact Reported	p006 · Anisotropic Softness-Conductivity · SI Fig. S45