Electrical Transport — Photoconductive metal-organic frameworks based on 10,20-meso-substituted Zn-porphyrin and fullerene C60

Measurement evidence

Electrical Transport

Photoconductive metal-organic frameworks based on 10,20-meso-substituted Zn-porphyrin and fullerene C60 · Granados-Tavera K., Montenegro-Pohlhammer N., Cardenas-Jiron G. · Surfaces and Interfaces · 2023 · 103002

4 measurement groups · 28 results

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

DFT-NEGF current-voltage and conductance; LCAO/PBE/PseudoDojo; Quantum ATK

1 · Model

Au(111) electrodes connected through four sulfur bridges; bias voltages 0, 0.1, 0.2 V

Geometry
molecular junction with 38 angstrom electrode separation
Context
computational model
Measurement source
7 · 3.4 Charge transport properties in molecular junction system · Table 4
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
conductance at 0.1 V1.81e-08 G0Table
Exact Reported
7 · 3.4 Charge transport properties in molecular junction system · Table 4
conductance at 0.2 V4.09e-09 G0Table
Exact Reported
7 · 3.4 Charge transport properties in molecular junction system · Table 4
conductance at 0 V6.18e-10 G0Table
Exact Reported
7 · 3.4 Charge transport properties in molecular junction system · Table 4
current at 0.1 V7.04e-14 ATable
Exact Reported
7 · 3.4 Charge transport properties in molecular junction system · Table 4
current at 0.2 V2.23e-14 ATable
Exact Reported
7 · 3.4 Charge transport properties in molecular junction system · Table 4
current at 0 V0 ATable
Exact Reported
7 · 3.4 Charge transport properties in molecular junction system · Table 4

DFT-NEGF current-voltage and conductance; LCAO/PBE/PseudoDojo; Quantum ATK

1@C60 · Model

Au(111) electrodes connected through four sulfur bridges; bias voltages 0, 0.1, 0.2 V

Geometry
molecular junction with 38 angstrom electrode separation
Context
computational model
Measurement source
7 · 3.4 Charge transport properties in molecular junction system · Table 4
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
conductance at 0.1 V1.23e-09 G0Table
Exact Reported
7 · 3.4 Charge transport properties in molecular junction system · Table 4
conductance at 0.2 V3.2e-08 G0Table
Exact Reported
7 · 3.4 Charge transport properties in molecular junction system · Table 4
conductance at 0 V5.83e-10 G0Table
Exact Reported
7 · 3.4 Charge transport properties in molecular junction system · Table 4
current at 0.1 V5.38e-15 ATable
Exact Reported
7 · 3.4 Charge transport properties in molecular junction system · Table 4
current at 0.2 V1.38e-13 ATable
Exact Reported
7 · 3.4 Charge transport properties in molecular junction system · Table 4
current at 0 V0 ATable
Exact Reported
7 · 3.4 Charge transport properties in molecular junction system · Table 4

DFT-NEGF current-voltage and conductance; LCAO/PBE/PseudoDojo; Quantum ATK

1@C60_wl · Model

Truncated molecular junction without linker and Zn-O clusters; bias voltages 0, 0.1, 0.2, 0.3 V

Geometry
molecular junction with 27 angstrom electrode separation
Context
computational model
Measurement source
8 · 3.4 Charge transport properties in molecular junction system · Table 5
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
conductance at 0.1 V0.361 G0Table
Exact Reported
8 · 3.4 Charge transport properties in molecular junction system · Table 5
conductance at 0.2 V0.489 G0Table
Exact Reported
8 · 3.4 Charge transport properties in molecular junction system · Table 5
conductance at 0.3 V0.666 G0Table
Exact Reported
8 · 3.4 Charge transport properties in molecular junction system · Table 5
conductance at 0 V0.401 G0Table
Exact Reported
8 · 3.4 Charge transport properties in molecular junction system · Table 5
current at 0.1 V2.6e-06 ATable
Exact Reported
8 · 3.4 Charge transport properties in molecular junction system · Table 5
current at 0.2 V6e-06 ATable
Exact Reported
8 · 3.4 Charge transport properties in molecular junction system · Table 5
current at 0.3 V1e-05 ATable
Exact Reported
8 · 3.4 Charge transport properties in molecular junction system · Table 5
current at 0 V0 ATable
Exact Reported
8 · 3.4 Charge transport properties in molecular junction system · Table 5

DFT-NEGF current-voltage and conductance; LCAO/PBE/PseudoDojo; Quantum ATK

1_wl · Model

Truncated molecular junction without linker and Zn-O clusters; bias voltages 0, 0.1, 0.2, 0.3 V

Geometry
molecular junction with 27 angstrom electrode separation
Context
computational model
Measurement source
8 · 3.4 Charge transport properties in molecular junction system · Table 5
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
conductance at 0.1 V0.342 G0Table
Exact Reported
8 · 3.4 Charge transport properties in molecular junction system · Table 5
conductance at 0.2 V0.435 G0Table
Exact Reported
8 · 3.4 Charge transport properties in molecular junction system · Table 5
conductance at 0.3 V0.533 G0Table
Exact Reported
8 · 3.4 Charge transport properties in molecular junction system · Table 5
conductance at 0 V0.447 G0Table
Exact Reported
8 · 3.4 Charge transport properties in molecular junction system · Table 5
current at 0.1 V2.5e-06 ATable
Exact Reported
8 · 3.4 Charge transport properties in molecular junction system · Table 5
current at 0.2 V5.4e-06 ATable
Exact Reported
8 · 3.4 Charge transport properties in molecular junction system · Table 5
current at 0.3 V8.5e-06 ATable
Exact Reported
8 · 3.4 Charge transport properties in molecular junction system · Table 5
current at 0 V0 ATable
Exact Reported
8 · 3.4 Charge transport properties in molecular junction system · Table 5