Single‐Molecule Electronics

Metzger, Robert M.

doi:10.1002/9780470661345.smc094

Cited by 7 publications

(7 citation statements)

References 71 publications

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“…We then carried out the transmission calculations of the Au/FC/Au molecular junction (see Figure S10). The electronic conductance obtained from the transmission curves as a function of gap distance is shown in Figure c. At gap distances between 9 and 10 Å, the conductance for the Au/FC/Au junction is around 10 –2 –10 –3 G 0 , which agrees well with the G H values obtained experimentally.…”

Section: Resultssupporting

confidence: 83%

Reliably Probing the Conductance of a Molecule in a Cavity via van der Waals Contacts

et al. 2020

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To address a long-standing issue of building molecular electrical circuits heavily relying on anchoring chemistry, we propose an alternative method to immobilize anchor-free molecules in a molecular cavity between metal electrodes. In such a scheme, well-defined conductance distribution of anchor-free molecules was obtained by means of a scanning tunneling microscopy break-junction technique. Density functional theory calculations suggest that effective electronic coupling at the molecule-electrode interface can be achieved through well-defined van der Waals (vdW) interactions when the molecule is confined in a cavity with a defined geometry. This work offers a new paradigm to achieve reliable conductance measurements of molecules via vdW interaction without metal-binding groups.

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Section: Resultssupporting

confidence: 83%

Reliably Probing the Conductance of a Molecule in a Cavity via van der Waals Contacts

et al. 2020

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“…Electron donor–acceptor (DA) molecules are highly regarded in nanoscience for their properties at the base of a emerging class of single-molecule-based electronic devices. − DA molecules with spatially separated electron-donating and -accepting moieties allow a controlled internal charge transfer . The spatial separation of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) allows excited electron–hole pairs to be split upon photon absorption, thus making DA molecules useful for the conversion of light into electrical current, leading to applications in organic solar cells .…”

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confidence: 99%

Donor–Acceptor Properties of a Single-Molecule Altered by On-Surface Complex Formation

et al. 2017

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Electron donor-acceptor molecules are of outstanding interest in molecular electronics and organic solar cells for their intramolecular charge transfer controlled via electrical or optical excitation. The preservation of their electronic character in the ground state upon adsorption on a surface is cardinal for their implementation in such single-molecule devices. Here, we investigate by atomic force microscopy and scanning tunneling microscopy a prototypical system consisting of a π-conjugated tetrathiafulvalene-fused dipyridophenazine molecule adsorbed on thin NaCl films on Cu(111). Depending on the adsorption site, the molecule is found either in a nearly undisturbed free state or in a bound state. In the latter case, the molecule adopts a specific adsorption site, leading to the formation of a chelate complex with a single Na alkali cation pulled out from the insulating film. Although expected to be electronically decoupled, the charge distribution of the complex is drastically modified, leading to the loss of the intrinsic donor-acceptor character. The chelate complex formation is reversible with respect to lateral manipulations, enabling tunable donor-acceptor molecular switches activated by on-surface coordination.

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“…Interference behavior in molecular circuits has been examined extensively. − While simple molecular chains such as alkane or alkene bridges can be understood directly as single pathways, when a ring component is included, multiple charge motion pathways become apparent, and differences in conduction can be observed, depending on how the covalent binding sites on the rings are selected (Figure ). It has been shown clearly both computationally and experimentally that the conductance can vary substantially for differing binding geometries. − Analysis of this issue ranges from using concepts of physical organic chemistry to sophisticated approaches based on phase generation.…”

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confidence: 99%

Interference and Molecular Transport—A Dynamical View: Time-Dependent Analysis of Disubstituted Benzenes

Chen

Zhang

Koo

et al. 2014

J. Phys. Chem. Lett.

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The primary issue in molecular electronics is measuring and understanding how electrons travel through a single molecule strung between two electrodes. A key area involves electronic interference that occurs when electrons can follow more than one pathway through the molecular entity. When the phases developed along parallel pathways are inequivalent, interference effects can substantially reduce overall conductance. This fundamentally interesting issue can be understood using classical rules of physical organic chemistry, and the subject has been examined broadly. However, there has been little dynamical study of such interference effects. Here, we use the simplest electronic structure model to examine the coherent time-dependent transport through meta- and para-linked benzene circuits, and the effects of decoherence. We find that the phase-caused coherence/decoherence behavior is established very quickly (femtoseconds), that the localized dephasing at any site reduces the destructive interference of the meta-linked species (raising the conductance), and that thermal effects are essentially ineffectual for removing coherence effects.

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Single‐Molecule Electronics

Cited by 7 publications

References 71 publications

Reliably Probing the Conductance of a Molecule in a Cavity via van der Waals Contacts

Reliably Probing the Conductance of a Molecule in a Cavity via van der Waals Contacts

Donor–Acceptor Properties of a Single-Molecule Altered by On-Surface Complex Formation

Interference and Molecular Transport—A Dynamical View: Time-Dependent Analysis of Disubstituted Benzenes

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