Modulating Quantum Interference Between Destructive and Constructive States in Double N‐Substituted Single Molecule Junctions

Chen, Zi‐Zhen and Wu, Shun‐Da and Lin, Jin‐Liang and Chen, Li‐Chuan and Cao, Jing‐Jing and Shao, Xiangfeng and Lambert, Colin J. and Zhang, Hao‐Li (2022) Modulating Quantum Interference Between Destructive and Constructive States in Double N‐Substituted Single Molecule Junctions. Advanced Electronic Materials. ISSN 2199-160X

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Abstract

Abstract: Quantum interference (QI) plays a crucial role in determining the charge transport in molecular devices. In this work, the efficient modulation of QI in meta‐phenylene ethylene oligomer molecular devices by a double N‐substitution strategy is demonstrated. By altering the positions of two N atoms in the central ring with respect to the connecting sites, the molecular conductance can be tuned by more than one order of magnitude. Theoretical analysis, including magic ratio theory, orbital rule, and transmission simulations, reveals how the two N atoms synergistically modulate the molecule conductance between destructive QI and constructive QI states. Remarkably, addition of a second N atom does not simple reinforce the effect of the first; in contrast, it may completely cancel the effect of the first. Understanding the complex electronic interplay between the two N atoms in double N‐substituted molecules paves a path toward utilization of heterocyclic aromatic hydrocarbons in molecular electronics.

Item Type:
Journal Article
Journal or Publication Title:
Advanced Electronic Materials
Subjects:
ID Code:
178259
Deposited By:
Deposited On:
31 Oct 2022 16:15
Refereed?:
Yes
Published?:
Published
Last Modified:
22 Nov 2022 12:00