Thermoelectric — Unique Thermoelectric Properties Induced by Intrinsic Nanostructuring in a Polycrystalline Thin-Film Two-Dimensional Metal–Organic Framework, Copper Benzenehexathiol

5 measurement groups · 31 results

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

phonon mean-free-path analysis using kappa_p = (1/3) cv vp lp

suspended Cu-BHT thermal-conductivity device · Thin Film

Uses measured kappa, Dulong-Petit specific heat, acoustic phonon velocity from literature phonon dispersion, and Wiedemann-Franz estimates.

Temperature: 300
Geometry: suspended thermal-conductivity device
Context: pristine Cu-BHT thin film
Measurement source: rendered page 3 / article p.2000437-3 · Results and Discussion · Equation 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C-C distance used to bound phonon mean free path	1.4 A	0.14 nm	—	Text Exact Reported	rendered page 3 / article p.2000437-3 · Results and Discussion · Equation 1
interlayer spacing	0.34 nm	0.34 nm	—	Text Exact Reported	rendered page 3 / article p.2000437-3 · Results and Discussion
electronic thermal conductivity range from measured sigma range	kappa_e ranges from 0.0073 to 1.5 W m-1 K-1 for sigma approximately 5 to 2000 S cm-1	—	—	Calculated From Reported Range	rendered SI page 7 · IV. Details of the calculation of the phonon mean free path
theoretical minimum phonon thermal conductivity	0.14 W m-1 K-1 at room temperature	0.14 W m-1 K-1	—	Calculated From Reported Rounded Reported	rendered page 3 / article p.2000437-3 · Results and Discussion · Equation 1
phonon mean free path upper limit	approximately 0.46 nm	0.46 nm	—	Calculated From Reported Approximate	rendered page 3 / article p.2000437-3 · Results and Discussion · Equation 1
acoustic phonon velocity	approximately 570 m s-1	570 m s-1	—	Text Approximate	rendered page 3 / article p.2000437-3 · Results and Discussion
pore separation distance	0.88 nm	0.88 nm	—	Text Exact Reported	rendered page 3 / article p.2000437-3 · Results and Discussion
sigma limit if measured kappa were entirely electronic	334 S cm-1	33400 S m-1	—	Calculated From Reported Rounded Reported	rendered SI page 8 · IV. Details of the calculation of the phonon mean free path
Wiedemann-Franz maximum sigma after kappa_p lower bound	147 S cm-1	14700 S m-1	—	Calculated From Reported Rounded Reported	rendered page 3 / article p.2000437-3 · Results and Discussion

Seebeck coefficient and four-terminal electrical conductivity on same devices

Electrical conductivity Seebeck and thermopower measurements

Cu-BHT Seebeck/electrical devices 5-7 · Thin Film

Extra leads generate a temperature gradient for Seebeck measurement; S and sigma measured on Devices 5, 6, and 7.

Temperature: 300
Geometry: Cu-BHT devices with extra thermal-gradient leads
Context: pristine Cu-BHT thin films
Measurement source: rendered page 4 / article p.2000437-4 · Results and Discussion · Figures 1g and 3b

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Device 5 Seebeck coefficient at 300 K	approximately -15 uV K-1 from Figure 3b	-15 uV K-1	visual estimate, about +/-2 uV K-1	Figure Axis Approximate	rendered page 4 / article p.2000437-4 · Results and Discussion · Figure 3b
Device 5 electrical conductivity at 300 K	approximately 70 S cm-1 from Figure 3b	7000 S m-1	visual estimate, about +/-50 S cm-1	Figure Axis Uncertain	rendered page 4 / article p.2000437-4 · Results and Discussion · Figure 3b
Device 6 Seebeck coefficient at 300 K	approximately -11 uV K-1 from Figure 3b	-11 uV K-1	visual estimate, about +/-2 uV K-1	Figure Axis Approximate	rendered page 4 / article p.2000437-4 · Results and Discussion · Figure 3b
Device 6 electrical conductivity at 300 K	approximately 90 S cm-1 from Figure 3b	9000 S m-1	visual estimate, about +/-60 S cm-1	Figure Axis Uncertain	rendered page 4 / article p.2000437-4 · Results and Discussion · Figure 3b
Device 7 Seebeck coefficient at 300 K	approximately -20 uV K-1 from Figure 3b	-20 uV K-1	visual estimate, about +/-2 uV K-1	Figure Axis Approximate	rendered page 4 / article p.2000437-4 · Results and Discussion · Figure 3b
Device 7 electrical conductivity at 300 K	approximately 80 S cm-1 from Figure 3b	8000 S m-1	visual estimate, about +/-60 S cm-1	Figure Axis Uncertain	rendered page 4 / article p.2000437-4 · Results and Discussion · Figure 3b
Seebeck coefficient range at 300 KMarked as a best value within this paper	-10 to -21 uV K-1	—	—	Text Range	rendered page 4 / article p.2000437-4 · Results and Discussion · Figure 3b

Dulong-Petit specific heat calculation

Calorimetry and thermal analysis

synthesised Cu-BHT film · Thin Film

Calculated from number of atoms per unit volume; applicable for T greater than Debye temperature.

Temperature: 300
Context: pristine Cu-BHT
Measurement source: SI text p.3 · III. Details of the calculation of the specific heat of Cu-BHT

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Debye temperature used for heat-capacity argument	156.5 K for Cu-BHT	156.5 K	—	Text Exact Reported	SI text p.3 · III. Details of the calculation of the specific heat of Cu-BHT
literature lattice constant used for heat-capacity calculation	8.45 A	0.845 nm	—	Text Exact Reported	SI text p.3 · III. Details of the calculation of the specific heat of Cu-BHT
literature layer thickness used for heat-capacity calculation	3.38 A	0.338 nm	—	Text Exact Reported	SI text p.3 · III. Details of the calculation of the specific heat of Cu-BHT
molar specific heat	348 J mol-1 K-1 at 300 K	348 J mol-1 K-1	—	Text Rounded Reported	SI text p.3 · III. Details of the calculation of the specific heat of Cu-BHT
volumetric specific heat	2.76 J cm-3 K-1 at 300 K	2760000 J m-3 K-1	—	Text Rounded Reported	rendered page 3 / article p.2000437-3 · Results and Discussion
unit-cell atom count used for heat-capacity calculation	15 atoms per unit cell (Cu: 3, S: 6, C: 6)	15 atoms per unit cell	—	Text Exact Reported	SI text p.3 · III. Details of the calculation of the specific heat of Cu-BHT
unit-cell volume used for heat-capacity calculation	0.209 nm3	0.209 nm3	—	Text Exact Reported	SI text p.3 · III. Details of the calculation of the specific heat of Cu-BHT

suspended in-plane thermal conductivity device

Thermal transport measurements

suspended Cu-BHT thermal-conductivity device · Thin Film

DC current through one metal lead creates DeltaT; heat Q calculated from sensor-lead resistance change; kappa = (Q/DeltaT) x l/(wd).

Temperature: approximately 30-300 K
Geometry: suspended Cu-BHT film between Cr/Cu heater/sensor leads
Context: pristine Cu-BHT thin film
Measurement source: SI text pp.2-3 · II.B. Measurement of thermal conductivity of Cu-BHT · Figures 1e and 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
thermal conductivity at about 170 K	approximately 0.20 W m-1 K-1 from Figure 2	0.2 W m-1 K-1	visual estimate, about +/-0.03 W m-1 K-1	Figure Axis Approximate	rendered page 3 / article p.2000437-3 · Results and Discussion · Figure 2
room-temperature in-plane thermal conductivityMarked as a best value within this paper	kappa approximately 0.25 W m-1 K-1 near 300 K	0.25 W m-1 K-1	—	Text Approximate	rendered page 3 / article p.2000437-3 · Results and Discussion · Figure 2
thermal conductivity at about 60 K	approximately 0.05 W m-1 K-1 from Figure 2	0.05 W m-1 K-1	visual estimate, about +/-0.02 W m-1 K-1	Figure Axis Approximate	rendered page 3 / article p.2000437-3 · Results and Discussion · Figure 2

thermoelectric figure of merit estimate

Cu-BHT Seebeck/electrical devices 5-7 · Thin Film

ZT estimated at 300 K using best observed values and Wiedemann-Franz electron thermal conductivity.

Temperature: 300
Geometry: combined best-performing Cu-BHT samples
Context: pristine Cu-BHT thin films
Measurement source: rendered page 5 / article p.2000437-5 · Results and Discussion

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
estimated thermoelectric figure of meritMarked as a best value within this paper	ZT = 0.013 at 300 K	0.013 dimensionless	—	Calculated From Reported Exact Reported	rendered page 5 / article p.2000437-5 · Results and Discussion
ZT input electronic thermal conductivity	kappa_e = 1.75 W m-1 K-1	1.75 W m-1 K-1	—	Calculated From Reported Exact Reported	rendered page 5 / article p.2000437-5 · Results and Discussion
ZT input phonon thermal conductivity	kappa_p = 0.24 W m-1 K-1	0.24 W m-1 K-1	—	Text Exact Reported	rendered page 5 / article p.2000437-5 · Results and Discussion
ZT input Seebeck coefficientMarked as a best value within this paper	S = -21 uV K-1	-21 uV K-1	—	Text Exact Reported	rendered page 5 / article p.2000437-5 · Results and Discussion
ZT input electrical conductivityMarked as a best value within this paper	sigma = 2000 S cm-1	200000 S m-1	—	Text Exact Reported	rendered page 5 / article p.2000437-5 · Results and Discussion