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Gating of single molecule transistors: Combining field-effect and chemical control
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10.1063/1.2897425
/content/aip/journal/jcp/128/15/10.1063/1.2897425
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/15/10.1063/1.2897425
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

The orientation of the gating electric field relative to the molecular device and leads.

Image of FIG. 2.
FIG. 2.

Locations of the thiol functionalization within the molecular conjugation ring: Gold-bound derivatives of (a) porphyrin-5,15-dithiol [meso-porphyrin], (b) porphyrin-2,12-dithiol [-porphyrin], (c) pentacene-1,10-dithiol, (d) pentacene-1,9-dithiol, (e) pentacene-2,10-dithiol, and (f) pentacene-2,9-dithiol.

Image of FIG. 3.
FIG. 3.

(a) Gold-bound derivative of the parent molecule, -(1,4-phenylenebis(ethyne-2,1-diyl))dibenzenethiol. (b) Gold-bound derivative of -(2-amino-1,4-phenylenebis(ethyne-2,1-diyl))dibenzenethiol which will be referred to as 2-amino. The other systems will be similarly referred to as (b) 2-nitro, (c) 2-amino-3-nitro, (d) 2-amino-5-nitro, (e) 2-amino-6-nitro, (f) 2,3-dinitro, (g) 2,5-dinitro, (h) 2,6-dinitro, (i) 2,3,5-trinitro, (j) 2,3,5,6-tetranitro, (k) 2,3-diamino, (l) 2,5-diamino, (m) 2,6-diamino, (n) 2,3,5-triamino, and (o) 2,3,5,6-tetramino.

Image of FIG. 4.
FIG. 4.

(a) Transmission (arbitrary units) of the four pentacene systems shown in Figs. 2(d)–2(f) (without an external gating electric field) vs (eV). (b) Transmission (arbitrary units) of pentacene-2,10-dithiol (2e) under a number of gating fields (a.u.) vs (eV).

Image of FIG. 5.
FIG. 5.

Molecular orbitals responsible for electronic transmission through (a) pentacene-1,9-dithiol, (b) meso-porphyrin, and [(c) and (d)] -porphyrin. The relative energy is given for each orbital in eV.

Image of FIG. 6.
FIG. 6.

(a) Transmission (arbitrary units) of meso-porphyrin under a number of gating fields (a.u.) vs the (eV). (b) Transmission (arbitrary units) of -porphyrin under a number of gating fields (a.u.) vs (eV).

Image of FIG. 7.
FIG. 7.

Transmission (arbitrary units) of the systems shown in Figs. 3(a)–3(o) without an external gating electric field vs (eV). The unsubstituted system (3a) is included in each part, which include (a) monosubstituted systems, (b) mixed amino-nitro disubstitutions, (c) di-, tri-, and tetra-nitro substituted systems, (d) di-, tri-, and tetra-amino substituted systems.

Image of FIG. 8.
FIG. 8.

Molecular orbitals responsible for electronic transmission through some of the systems shown in Fig. 3. Relative energies (in eV) from the Fermi energy are listed and the system is denoted in parentheses after the energy. [3a represents the system shown in Fig. 3(a)]. All orbitals are drawn with the same isosurface.

Image of FIG. 9.
FIG. 9.

(a) Transmission (arbitrary units) of 2,3-diamino under a number of gating fields (a.u.) vs (eV). (b) Current through 2,3-diamino vs applied voltage for the system without an electric field and with a field strength of (c) Transmission (arbitrary units) of 2,3-dinitro under a number of gating fields (a.u.) vs (eV). (d) Current through 2,3-dinitro vs applied voltage for the system without an electric field and with a field strength of

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/content/aip/journal/jcp/128/15/10.1063/1.2897425
2008-04-16
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Gating of single molecule transistors: Combining field-effect and chemical control
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/15/10.1063/1.2897425
10.1063/1.2897425
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