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
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| conductance at 0.1 V | 1.81e-08 G0 | — | — | Table Exact Reported | 7 · 3.4 Charge transport properties in molecular junction system · Table 4 |
| conductance at 0.2 V | 4.09e-09 G0 | — | — | Table Exact Reported | 7 · 3.4 Charge transport properties in molecular junction system · Table 4 |
| conductance at 0 V | 6.18e-10 G0 | — | — | Table Exact Reported | 7 · 3.4 Charge transport properties in molecular junction system · Table 4 |
| current at 0.1 V | 7.04e-14 A | — | — | Table Exact Reported | 7 · 3.4 Charge transport properties in molecular junction system · Table 4 |
| current at 0.2 V | 2.23e-14 A | — | — | Table Exact Reported | 7 · 3.4 Charge transport properties in molecular junction system · Table 4 |
| current at 0 V | 0 A | — | — | Table Exact Reported | 7 · 3.4 Charge transport properties in molecular junction system · Table 4 |