Control over Molecular Orbital Gating and Marcus Inverted Charge Transport in Molecular Junctions with Conjugated Molecular Wires

Christian A. Nijhuis*, Ziyu Zhang, Francis Adoah, Cameron Nickle, Senthil Kumar Karuppannan, Lejia Wang, Li Jiang, Anton Tadich, Bruce Cowie, Teddy Salim, Dong Chen Qi, Damien Thompson, Enrique Del Barco

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

3 Citations (Scopus)
48 Downloads (Pure)

Abstract

Recently it is discovered that molecular junctions can be pushed into the Marcus Inverted region of charge transport, but it is unclear which factors are important. This paper shows that the mechanism of charge transport across molecular wires can be switched between the normal and Marcus Inverted regions by fine-tuning the molecule–electrode coupling strength and the tunneling distance across oligophenylene ethynylene (OPE) wire terminated with ferrocene (Fc) abbreviated as S-OPEnFc (n = 1–3). Coherent tunneling dominates the mechanism of charge transport in junctions with short molecules (n = 1), but for n = 2 or 3 redox reactions become important. By weakening the molecule—electrode interaction by interrupted conjugation, S-CH2-OPEnFc, intramolecular orbital gating can occur pushing the junctions completely into the Marcus Inverted region. These results indicated that weak molecule—electrode coupling is important to push junctions into the Marcus Inverted Region.

Original languageEnglish
Article number2200637
JournalAdvanced electronic materials
Volume9
Issue number2
Early online date30 Nov 2022
DOIs
Publication statusPublished - Feb 2023

Keywords

  • charge transport
  • EGaIn, molecular electronics
  • Marcus Inverted Region
  • selfs-assembled monolayers

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