Electrical Transport — Electron delocalization and charge mobility as a function of reduction in a metal-organic framework

5 measurement groups · 18 results

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

Stepwise-reduced KxFe2(BDP)3 single-microcrystal FET devices · Single Crystal

Transfer current fitted using standard FET equations and cylindrical channel capacitance; VSD = 1 V in Fig. 5c.

Temperature: 300
Geometry: back-gated microcrystal FET on SiO2/Si with Pt/C contacts
Context: Pristine and stepwise K-reduced single-crystal devices.
Measurement source: SI p.21, p.40 · Description of mobility calculations; Table S7 · Figs. S23-S30; Table S7

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Average electron field-effect mobility of Fe2(BDP)3	2 x 10-3 cm2 V-1 s-1	—	—	Text Rounded Reported	main p.5, article p.629 · Conductivity and charge mobility · Fig. 5d
Average hole field-effect mobility of Fe2(BDP)3	6 x 10-4 cm2 V-1 s-1	—	—	Text Rounded Reported	main p.5, article p.629 · Conductivity and charge mobility · Fig. 5d
Peak electron field-effect mobility for K0.98Fe2(BDP)3Marked as a best value within this paper	0.84 cm2 V-1 s-1	—	—	Text Rounded Reported	main p.5, article p.629 · Conductivity and charge mobility · Fig. 5d; Table S7
Device 1 field-effect mobility at x = 0.78	5.45E-01 cm2 V-1 s-1	—	—	SI Table Exact Reported	SI p.40 · Table S7 · Table S7
Estimated minimum mobility for effective-mass model	about 0.3 cm2 V-1 s-1	—	about	Calculated From Reported Approximate	main p.5, article p.629 · Conductivity and charge mobility

Fe2(BDP)3 single-microcrystal FET device · Single Crystal

Single Fe2(BDP)3 crystal; 80-300 K Arrhenius analysis.

Temperature: 80-300
Geometry: single-crystal four-contact microelectrode device
Context: Pristine Fe2(BDP)3 only.
Measurement source: main p.5, article p.629 · Conductivity and charge mobility · Fig. 5b; Fig. S22

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
High-temperature Arrhenius activation energy	25 +/- 5 meV over 225-300 K	—	+/- 5 meV	Text Exact Reported	main p.5, article p.629 · Conductivity and charge mobility · Fig. S22
Low-temperature Arrhenius activation energy	102 +/- 3 meV over 80-200 K	—	+/- 3 meV	Text Exact Reported	main p.5, article p.629 · Conductivity and charge mobility · Fig. S22
Four-point DC conductivity of Fe2(BDP)3 single crystal at 300 KMarked as a best value within this paper	9.6 x 10-3 S cm-1	—	—	Text Rounded Reported	main p.5, article p.629 · Conductivity and charge mobility · Fig. 5b

KxFe2(BDP)3/PMMA FP-TRMC films · Thin Film

25 C under N2; 355 nm Nd:YAG laser pulses; 6.5e15 photons cm-2 pulse-1; microwave ca. 9.1 GHz.

Temperature: 298
Atmosphere: N2
Geometry: 50/50 wt% MOF/PMMA film on quartz
Context: Composite measurement format for pristine and K-reduced MOF powders.
Measurement source: main p.4, article p.628 · Conductivity and charge mobility · Fig. 5a

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
FP-TRMC mobility for Fe2(BDP)3	0.02 cm2 V-1 s-1	—	—	Text Rounded Reported	main p.4, article p.628 · Conductivity and charge mobility · Fig. 5a
FP-TRMC mobility for K0.2Fe2(BDP)3	0.04 cm2 V-1 s-1	—	—	Figure Axis Rounded Reported	main p.6, article p.630 · Fig. 5 · Fig. 5a
FP-TRMC mobility for K0.4Fe2(BDP)3	0.09 cm2 V-1 s-1	—	—	Figure Axis Rounded Reported	main p.6, article p.630 · Fig. 5 · Fig. 5a
FP-TRMC maximum mobility for K0.8Fe2(BDP)3Marked as a best value within this paper	0.29 cm2 V-1 s-1	—	—	Text Rounded Reported	main p.4, article p.628 · Conductivity and charge mobility · Fig. 5a

Pressed pellets of KxFe2(BDP)3 · Pellet

Four-point pressed pellet conductivity for K0.2Fe2(BDP)3 and impedance/Nyquist plots for K0.2 and K0.4 pellets.

Geometry: pressed pellet
Context: Reduced powder pellets compared qualitatively with single crystals.
Measurement source: SI p.27, p.38-39 · Pressed pellet conductivity and impedance · Figs. S21, S32, S33

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Pressed pellet conductivity relative to single crystal	at least a million times lower than comparable two-contact single-crystal measurements	—	at least	Text Approximate	main p.6, article p.630 · Conductivity and charge mobility · Figs. S32-S33

Stepwise-reduced KxFe2(BDP)3 single-microcrystal FET devices · Single Crystal

Device 1 measured as a function of K insertion; source-drain IV curves before and after reduction.

Temperature: 300
Atmosphere: protected transfer; measured in home-built probe station
Geometry: single microcrystal bridging interdigitated electrodes with Pt/C contacts
Context: Same device measured before and after stepwise reduction.
Measurement source: SI p.40 · Tabulated mobility and conductivity values · Table S6

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Estimated carrier density for K0.98Fe2(BDP)3	ne ~ 7 x 10^21 e cm-3	—	approximately	Calculated From Reported Approximate	main p.6, article p.630 · Conductivity and charge mobility
Conductivity enhancement on reduction to K0.98Fe2(BDP)3	about a 10,000-fold conductivity increase	—	about	Text Approximate	main p.5, article p.629 · Conductivity and charge mobility · Table S6
Estimated four-contact conductivity of K0.98Fe2(BDP)3	on the order of ~7 x 10^2 S cm-1	—	order-of-magnitude estimate	Calculated From Reported Approximate	main p.6, article p.630 · Conductivity and charge mobility
Two-point DC conductivity of Fe2(BDP)3 single crystal, device 1	3.50E-7 S cm-1	—	—	SI Table Exact Reported	SI p.40 · Table S6 · Table S6
Maximum two-point DC conductivity of K0.98Fe2(BDP)3 single crystal, device 1Marked as a best value within this paper	2.52E-2 S cm-1	—	—	SI Table Exact Reported	SI p.40 · Table S6 · Table S6