Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Site-directed deep electronic tunneling through a molecular network

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.2071947· OSTI ID:20723161
;  [1]
  1. Department of Chemistry and The Lise Meitner Center for Computational Quantum Chemistry, Technion-Israel Institute of Technology, Haifa 32000 (Israel)

Electronic tunneling in a complex molecular network of N(>2) donor/acceptor sites, connected by molecular bridges, is analyzed. The 'deep' tunneling dynamics is formulated using a recursive perturbation expansion, yielding a McConnell-type reduced N-level model Hamiltonian. Applications to models of molecular junctions demonstrate that the donor-bridge contact parameters can be tuned in order to control the tunneling dynamics and particularly to direct the tunneling pathway to either one of the various acceptors.

OSTI ID:
20723161
Journal Information:
Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 15 Vol. 123; ISSN JCPSA6; ISSN 0021-9606
Country of Publication:
United States
Language:
English

Similar Records

Electron transfer rates in bridged molecular systems: a phenomenological approach to relaxation.
Journal Article · Tue Dec 31 23:00:00 EST 1996 · J. Phys. Chem. A · OSTI ID:938196

Modeling donor/acceptor interactions: Combined roles of theory and computation
Journal Article · Sat Mar 04 23:00:00 EST 2000 · International Journal of Quantum Chemistry · OSTI ID:20017575

Theory of charge transport in molecular junctions: From Coulomb blockade to coherent tunneling
Journal Article · Thu Aug 14 00:00:00 EDT 2014 · Journal of Chemical Physics · OSTI ID:22420015