Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 141, Issue 18, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4901722
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Funding
- U.S. Air Force Office of Scientific Research Multidisciplinary University Research Initiative [FA9550-14-1-003]
- Lundbeck Foundation
- Lundbeck Foundation [R139-2012-12712] Funding Source: researchfish
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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-Buttiker 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. (C) 2014 AIP Publishing LLC.
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