Porosity — The diffusion mechanism of water in conductive metal-organic frameworks

Measurement evidence

Porosity

The diffusion mechanism of water in conductive metal-organic frameworks · Cao Z., Barati Farimani A. · Physical Chemistry Chemical Physics · 2022 · 24852-24859

4 measurement groups · 8 results

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

MOF tube geometry used in MD model

M3(HITN)2 family model (M = Ag, Cr, Cu, Fe, Ni, Pd) · Model

Pore radius and interlayer gap reported for model tubes.

Temperature
300
Atmosphere
1 atm
Geometry
periodic MOF tube model along z-direction
Context
model pristine framework with water molecules
Measurement source
3 · Methods · Fig. 1c
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
layer gap3.48 AngstromText
Exact Reported
3 · Methods · Fig. 1c
pore radius12 AngstromText
Exact Reported
3 · Methods · Fig. 1c

MOF tube geometry used in MD model

M3(HITP)2 AA family model (M = Ag, Cr, Cu, Fe, Ni, Pd) · Model

Pore radius and interlayer gap reported for model tubes.

Temperature
300
Atmosphere
1 atm
Geometry
periodic MOF tube model along z-direction
Context
model pristine framework with water molecules
Measurement source
3 · Methods · Fig. 1c
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
layer gap3.3 AngstromText
Exact Reported
3 · Methods · Fig. 1c
pore radius7.8 AngstromText
Exact Reported
3 · Methods · Fig. 1c

MOF tube geometry used in MD model

M3(HITP)2 AB family model (M = Ag, Cr, Cu, Fe, Ni, Pd) · Model

Pore radius and interlayer gap reported for model tubes.

Temperature
300
Atmosphere
1 atm
Geometry
periodic MOF tube model along z-direction
Context
model pristine framework with water molecules
Measurement source
3 · Methods · Fig. 1c
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
layer gap3.3 AngstromText
Exact Reported
3 · Methods · Fig. 1c
pore radius7.8 AngstromText
Exact Reported
3 · Methods · Fig. 1c

MOF tube geometry used in MD model

M-HAB family model (M = Ag, Cr, Cu, Fe, Ni, Pd) · Model

Pore radius and interlayer gap reported for model tubes.

Temperature
300
Atmosphere
1 atm
Geometry
periodic MOF tube model along z-direction
Context
model pristine framework with water molecules
Measurement source
3 · Methods · Fig. 1c
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
layer gap3.19 AngstromText
Exact Reported
3 · Methods · Fig. 1c
pore radius4 AngstromText
Exact Reported
3 · Methods · Fig. 1c