Electrical Transport — Selenium-Substitution Strategy for Enhanced Mobility, Tunable Bandgap, and Improved Electrochemical Energy Storage in Semiconducting Conjugated Coordination Polymers

4 measurement groups · 22 results

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

Four-point probe conductivity

Electrical conductivity

Ag4TSHQ pressed pellet · Pellet

Pressed pellet; temperature controlled by CTI Cryogenics refrigerator; ambient-temperature value highlighted.

Temperature: ambient; temperature series 300-400 K in Figure 3e
Geometry: pressed pellet, four-probe
Context: pristine framework pellet
Measurement source: 4 · Electronic Structure Characterization · Figure 3e

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Arrhenius activation energy	85 meV	—	—	Text Exact Reported	4 · Electronic Structure Characterization · Figure 3e inset
room-temperature electrical conductivityMarked as a best value within this paper	1.6 S/m under ambient temperature	—	—	Text Exact Reported	4 · Electronic Structure Characterization · Figure 3e

Four-probe conductivity on pressed pellet samples

Electrical conductivity

Ag4TXHQ-1:1 powder · Powder

Temperature-dependent conductivity for Ag4TXHQ species, Figure S10.

Temperature: 300-400
Geometry: pressed pellet
Context: mixed-ligand framework pellets
Measurement source: 15 · Supporting figures and tables · Figure S10

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ag4TXHQ-11:1 conductivity at 300 K	ca. 0.135 S/cm	—	—	Visual Estimate Approximate	15 · Supporting figures and tables · Figure S10a
Ag4TXHQ-11:1 conductivity at 400 K	ca. 0.31 S/cm	—	—	Visual Estimate Approximate	15 · Supporting figures and tables · Figure S10a
Ag4TXHQ-11:1 activation energy	Ea(11:1) = 87 meV	—	—	Figure Axis Rounded Reported	15 · Supporting figures and tables · Figure S10b
Ag4TXHQ-1:1 conductivity at 300 K	ca. 0.006 S/cm	—	—	Visual Estimate Approximate	15 · Supporting figures and tables · Figure S10a
Ag4TXHQ-1:1 conductivity at 400 K	ca. 0.02 S/cm	—	—	Visual Estimate Approximate	15 · Supporting figures and tables · Figure S10a
Ag4TXHQ-1:1 activation energy	Ea(1:1) = 86 meV	—	—	Figure Axis Rounded Reported	15 · Supporting figures and tables · Figure S10b
Ag4TXHQ-3:1 conductivity at 300 K	ca. 0.042 S/cm	—	—	Visual Estimate Approximate	15 · Supporting figures and tables · Figure S10a
Ag4TXHQ-3:1 conductivity at 400 K	ca. 0.1 S/cm	—	—	Visual Estimate Approximate	15 · Supporting figures and tables · Figure S10a
Ag4TXHQ-3:1 activation energy	Ea(3:1) = 87 meV	—	—	Figure Axis Rounded Reported	15 · Supporting figures and tables · Figure S10b
Ag4TXHQ-7:1 conductivity at 300 K	ca. 0.112 S/cm	—	—	Visual Estimate Approximate	15 · Supporting figures and tables · Figure S10a
Ag4TXHQ-7:1 conductivity at 400 K	ca. 0.26 S/cm	—	—	Visual Estimate Approximate	15 · Supporting figures and tables · Figure S10a
Ag4TXHQ-7:1 activation energy	Ea(7:1) = 89 meV	—	—	Figure Axis Rounded Reported	15 · Supporting figures and tables · Figure S10b

Time-resolved terahertz spectroscopy and Drude-Smith fit

Terahertz spectroscopy

Ag4TSHQ drop-cast film · Thin Film

3.1 eV optical excitation; frequency-resolved complex photoconductivity at ca. 1 ps after maximum photoconductivity.

Geometry: drop-cast film
Context: pristine framework film
Measurement source: 5-6 · Theoretical and Experimental Studies on the Bandgap Regulation through Atomic Change · Figure 5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Drude-Smith backscattering parameter c	-0.86	—	—	Text Exact Reported	6 · Theoretical and Experimental Studies on the Bandgap Regulation through Atomic Change · Figure 5b,c
Drude-Smith scattering time	100 +/- 4 fs	—	+/- 4 fs	Text Exact Reported	6 · Theoretical and Experimental Studies on the Bandgap Regulation through Atomic Change · Figure 5b,c
charge mobility in dc limitMarked as a best value within this paper	352 +/- 15 cm2/(V s)	—	+/- 15 cm2/(V s)	Text Exact Reported	6 · Theoretical and Experimental Studies on the Bandgap Regulation through Atomic Change · Figure 5b,c
photoconductivity decay time scale	within ca. 10 ps	—	—	Text Approximate	5 · Theoretical and Experimental Studies on the Bandgap Regulation through Atomic Change · Figure 5a
DFT-calculated effective mass used for mobility	0.07 m0	—	—	Text Exact Reported	6 · Theoretical and Experimental Studies on the Bandgap Regulation through Atomic Change · Figure 5

Time-resolved terahertz spectroscopy and Drude-Smith fit

Terahertz spectroscopy

Ag4TTHQ drop-cast film · Thin Film

3.1 eV optical excitation; frequency-resolved complex photoconductivity at ca. 1 ps after maximum photoconductivity.

Geometry: drop-cast film
Context: pristine sulfur analogue control film
Measurement source: 5-6 · Theoretical and Experimental Studies on the Bandgap Regulation through Atomic Change · Figure 5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Drude-Smith backscattering parameter c	-0.9	—	—	Text Exact Reported	6 · Theoretical and Experimental Studies on the Bandgap Regulation through Atomic Change · Figure 5b,c
Drude-Smith scattering time	71 +/- 5 fs	—	+/- 5 fs	Text Exact Reported	6 · Theoretical and Experimental Studies on the Bandgap Regulation through Atomic Change · Figure 5b,c
charge mobility in dc limit	178 +/- 13 cm2/(V s)	—	+/- 13 cm2/(V s)	Text Exact Reported	6 · Theoretical and Experimental Studies on the Bandgap Regulation through Atomic Change · Figure 5b,c