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Title: Communication: Finding destructive interference features in molecular transport junctions

Associating molecular structure with quantum interference features in electrode-molecule-electrode transport junctions has been difficult because existing guidelines for understanding interferences only apply to conjugated hydrocarbons. Herein we use linear algebra and the Landauer-Büttiker theory for electron transport to derive a general rule for predicting the existence and locations of interference features. Our analysis illustrates that interferences can be directly determined from the molecular Hamiltonian and the molecule–electrode couplings, and we demonstrate its utility with several examples.
Authors:
 [1] ;  [2]
  1. Department of Chemistry, Northwestern University, Evanston, Illinois 60208 (United States)
  2. Department of Chemistry, H. C. Ørsted Institute, University of Copenhagen, DK 2100 Copenhagen (Denmark)
Publication Date:
OSTI Identifier:
22415333
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 18; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ELECTRIC UTILITIES; ELECTRODES; ELECTRONS; HAMILTONIANS; HYDROCARBONS; INTERFERENCE; MOLECULAR STRUCTURE; MOLECULES