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Volumn 78, Issue 12, 2008, Pages

Understanding the electroluminescence emitted by single molecules in scanning tunneling microscopy experiments

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EID: 52949153618     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.78.125107     Document Type: Article
Times cited : (22)

References (44)
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    • In order to simulate strong molecule-substrate coupling on a uniform oxide surface, each substrate contact in this case is positioned 4.0 Å below the plane of the molecule (2.5Å from the nearest atom of the molecule). The tip probe is positioned 4.1Å above the molecule. See Fig. 2.
    • In order to simulate strong molecule-substrate coupling on a uniform oxide surface, each substrate contact in this case is positioned 4.0Å below the plane of the molecule (2.5Å from the nearest atom of the molecule). The tip probe is positioned 4.1Å above the molecule. See Fig. 2.
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    • Changing the ratio α: γ1: γ2 affects the energies of the relevant molecular orbitals when a bias voltage is applied, but does not qualitatively change the model results as long as the condition γ2 <α< γ1 is met. For a ratio α: γ1: γ2 set to 9:10:8 instead of 3:4:2 (corresponding to smaller differences in the electrostatic effects on each orbital), all of the qualitative features described in Sec. 3 remain the same.
    • Changing the ratio α: γ1: γ2 affects the energies of the relevant molecular orbitals when a bias voltage is applied, but does not qualitatively change the model results as long as the condition γ2 <α< γ1 is met. For a ratio α: γ1: γ2 set to 9:10:8 instead of 3:4:2 (corresponding to smaller differences in the electrostatic effects on each orbital), all of the qualitative features described in Sec. 3 remain the same.
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    • Here, the substrate contact S4 is positioned 4.0Å below the plane of the molecule, with the other three substrate contacts positioned 4.5Å below the plane. The tip probe is positioned 4.5Å above the molecule.
    • Here, the substrate contact S4 is positioned 4.0Å below the plane of the molecule, with the other three substrate contacts positioned 4.5Å below the plane. The tip probe is positioned 4.5Å above the molecule.
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    • Here, the substrate contacts are positioned 4.5̊ below the plane of the molecule (3.0̊ from the nearest atom of the molecule) and the tip probe is positioned 4.0̊ above the molecule. The lateral electrode positions are the same as for the other cases (see Fig. 2).
    • Here, the substrate contacts are positioned 4.5̊ below the plane of the molecule (3.0̊ from the nearest atom of the molecule) and the tip probe is positioned 4.0̊ above the molecule. The lateral electrode positions are the same as for the other cases (see Fig. 2).
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