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Updated: Jun 27, 2025

Single-Molecule Förster Resonance Energy Transfer Methods for Real-Time Investigation of the Holliday Junction Resolution by GEN1
Published on: September 18, 2019
Theoretical and modelling investigation of pendant groups effect on quantum interference for single-molecule
1Department of Laser Physics, College of Science for Women, University of Babylon Hilla 51001 Iraq oday.alowaedi@uobabylon.edu.iq.
Abstract:
Quantum interference (QI) is one of the most important phenomena that affects the charge transport through single molecules. The effect of a constructive and destructive quantum interference on electronic, thermoelectric and spectroscopic properties of oligo(phenyleneethynylene) based-molecular junctions has been investigated using a combination of density functional theory (DFT) methods, tight binding (Hückel) modelling (TBHM) and quantum transport theory (QTT). Molecules with carbonyl, diphenyl, ethane and ethynylferrocene substituents show a destructive quantum interference (DQI), which enhances thermoelectric properties of these molecules making them promising materials for thermoelectric applications.
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