Controlling the rectification properties of molecular junctions through molecule-electrode coupling

Matthieu Koepf, Christopher Koenigsmann, Wendu Ding, Arunbah Batra, Christian F A Negre, Latha Venkataraman, Gary W Brudvig, Victor S. Batista, Charles A. Schmuttenmaer, Robert H. Crabtree

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

The development of molecular components functioning as switches, rectifiers or amplifiers is a great challenge in molecular electronics. A desirable property of such components is functional robustness, meaning that the intrinsic functionality of components must be preserved regardless of the strategy used to integrate them into the final assemblies. Here, this issue is investigated for molecular diodes based on N-phenylbenzamide (NPBA) backbones. The transport properties of molecular junctions derived from NPBA are characterized while varying the nature of the functional groups interfacing the backbone and the gold electrodes required for break-junction measurements. Combining experimental and theoretical methods, it is shown that at low bias (<0.85 V) transport is determined by the same frontier molecular orbital originating from the NPBA core, regardless of the anchoring group employed. The magnitude of rectification, however, is strongly dependent on the strength of the electronic coupling at the gold-NPBA interface and on the spatial distribution of the local density of states of the dominant transport channel of the molecular junction.

Original languageEnglish
Pages (from-to)16357-16362
Number of pages6
JournalNanoscale
Volume8
Issue number36
DOIs
Publication statusPublished - Sep 28 2016

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Gold
Molecular electronics
Electrodes
Molecules
Molecular orbitals
Transport properties
Functional groups
Spatial distribution
Diodes
Switches

ASJC Scopus subject areas

  • Materials Science(all)

Cite this

Koepf, M., Koenigsmann, C., Ding, W., Batra, A., Negre, C. F. A., Venkataraman, L., ... Crabtree, R. H. (2016). Controlling the rectification properties of molecular junctions through molecule-electrode coupling. Nanoscale, 8(36), 16357-16362. https://doi.org/10.1039/c6nr04830g

Controlling the rectification properties of molecular junctions through molecule-electrode coupling. / Koepf, Matthieu; Koenigsmann, Christopher; Ding, Wendu; Batra, Arunbah; Negre, Christian F A; Venkataraman, Latha; Brudvig, Gary W; Batista, Victor S.; Schmuttenmaer, Charles A.; Crabtree, Robert H.

In: Nanoscale, Vol. 8, No. 36, 28.09.2016, p. 16357-16362.

Research output: Contribution to journalArticle

Koepf, M, Koenigsmann, C, Ding, W, Batra, A, Negre, CFA, Venkataraman, L, Brudvig, GW, Batista, VS, Schmuttenmaer, CA & Crabtree, RH 2016, 'Controlling the rectification properties of molecular junctions through molecule-electrode coupling', Nanoscale, vol. 8, no. 36, pp. 16357-16362. https://doi.org/10.1039/c6nr04830g
Koepf M, Koenigsmann C, Ding W, Batra A, Negre CFA, Venkataraman L et al. Controlling the rectification properties of molecular junctions through molecule-electrode coupling. Nanoscale. 2016 Sep 28;8(36):16357-16362. https://doi.org/10.1039/c6nr04830g
Koepf, Matthieu ; Koenigsmann, Christopher ; Ding, Wendu ; Batra, Arunbah ; Negre, Christian F A ; Venkataraman, Latha ; Brudvig, Gary W ; Batista, Victor S. ; Schmuttenmaer, Charles A. ; Crabtree, Robert H. / Controlling the rectification properties of molecular junctions through molecule-electrode coupling. In: Nanoscale. 2016 ; Vol. 8, No. 36. pp. 16357-16362.
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