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1 article(s) from McCreery, Richard L

Effects of electronic coupling and electrostatic potential on charge transport in carbon-based molecular electronic junctions

Richard L. McCreery

Beilstein J. Nanotechnol. 2016, 7, 32–46, doi:10.3762/bjnano.7.4

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Figure 1: Structures of azobenzene (AB), 9-ring graphene fragment (G9), AB bonded to a G9 “corner” site (G9–A...

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Figure 2: Energy level diagram comparing orbital energies for isolated AB and G9, compared to the G9–AB clust...

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Figure 3: HOMO and H−1 orbitals for G9–AB for a range of dihedral angles between the G9 plane and AB aromatic...

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Figure 4: Orbitals for G9–AB–G9 added to the orbital energy diagram of Figure 2. All structures are presented in thei...

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Figure 5: Effect of dihedral angle on orbital electron distributions in G9–AB–G9. In the 0° case, the G9s and...

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Figure 6: Comparisons of calculated electronic coupling t values in meV for G9–(AB)_n–G9 and edge-oriented G9–...

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Figure 7: A) t_H−2/H−3 calculated for the planar geometries of the indicated G9–molecule–G9 clusters with vari...

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Figure 8: A) Isolated AB and G9 molecules showing the calculated HOMO and LUMO energies relative to the exper...

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Published 11 Jan 2016

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