cMOF Evidence Base
Computational Modelling — High charge mobility in a tetrathiafulvalene-based microporous metal-organic framework

Measurement evidence

Computational Modelling

High charge mobility in a tetrathiafulvalene-based microporous metal-organic framework · Narayan T.C., Miyakai T., Seki S. et al. · Journal of the American Chemical Society · 2012 · 12932-12935

1 measurement group · 3 results

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

Analytical band-model threshold estimate using energy-time uncertainty principle

X-ray quality dark red needles of compound 1 · Single Crystal

Assumed electron-lattice scattering time tau = 10^-14 s and spacing 3.81 A between components to estimate minimum mobility for band-model treatment.

Atmosphere
Not applicable.
Geometry
Model based on TTF stacking distance in compound 1.
Context
Target MOF structure interpreted using reported transport result.
Measurement source
main p.3 / article p.12934 · Band model discussion
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Minimum charge mobility for band-model treatment0.3 cm2/V s0.3 cm2/V/s—Text
Rounded Reported		main p.3 / article p.12934 · Band model discussion
Component spacing used in band-model threshold3.81 A3.81 A—Text
Rounded Reported		main p.3 / article p.12934 · Band model discussion
Assumed electron-lattice scattering timetau = 10^-14 s1e-14 stypical assumed valueText
Approximate		main p.3 / article p.12934 · Band model discussion