Light-driven electron transport through a molecular junction based on cross-conjugated systems

Liang Yan Hsu, Dan Xie, Herschel Rabitz

Research output: Contribution to journalArticlepeer-review

16 Scopus citations


This work explores light-driven electron transport through cross-conjugated molecules with different numbers of alkenyl groups. In the framework of coherent quantum transport, the analysis uses single-particle Green's functions together with non-Hermitian Floquet theory. With realistic parameters stemming from spectroscopy, the simulations show that measurable current (∼1011A) caused by photon-assisted tunneling should be observed in a weak driving field (∼2 × 105V/cm). Current-field intensity characteristics give one-photon and two-photon field amplitude power laws. The gap between the molecular orbital and the Fermi level of the electrodes is revealed by current-field frequency characteristics. Due to generalized parity symmetry, the cross-conjugated molecules with odd and even numbers of alkenyl groups exhibit completely different current-polarization characteristics, which may provide an advantageous feature in nanoelectronic applications.

Original languageEnglish (US)
Article number124703
JournalJournal of Chemical Physics
Issue number12
StatePublished - Sep 28 2014

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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