A Magic Ratio Rule for Beginners: A Chemist's Guide to Quantum Interference in Molecules
A Magic Ratio Rule for Beginners: A Chemist's Guide to Quantum Interference in Molecules
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DOI：
10.1002/chem.201704488
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发表时间：
2018-03-20
影响因子：
4.3
通讯作者：
Liu, Shi-Xia
中科院分区：
文献类型：
--
作者：
Lambert, Colin J.;Liu, Shi-Xia
这篇概念文章将简要介绍在分子尺度器件中利用量子干涉效应的化学设计原理。在单分子结中直接观察室温QI激发了人们对定制分子电子器件制造的兴趣。在此，我们概述了通过化学修饰控制单分子QI效应所需的科学理解和技术知识的新概念进展。我们首先从化学角度讨论QI，然后描述一个新的魔比规则（MRR），它捕获了连接驱动电荷传输的最小描述，并为化学家设计具有所需功能的分子电子学的适当分子提供了一个有用的起点。MRR预测电导比，电导比仅由多环芳烃（PAHs）核心内的QI决定。QI的表现和材料发现的相关量子电路规则是单分子结中弱耦合、局域性、连通性、中隙输运和相相干等关键概念的直接结果。
This Concept article will give a glimpse into chemical design principles for exploiting quantum interference (QI) effects in molecular-scale devices. Direct observation of room temperature QI in single-molecule junctions has stimulated growing interest in fabrication of tailor-made molecular electronic devices. Herein, we outline a new conceptual advance in the scientific understanding and technological know-how necessary to control QI effects in single molecules by chemical modification. We start by discussing QI from a chemical viewpoint and then describe a new magic ratio rule (MRR), which captures a minimal description of connectivity-driven charge transport and provides a useful starting point for chemists to design appropriate molecules for molecular electronics with desired functions. The MRR predicts conductance ratios, which are solely determined by QI within the core of polycyclic aromatic hydrocarbons (PAHs). The manifestations of QI and related quantum circuit rules for materials discovery are direct consequences of the key concepts of weak coupling, locality, connectivity, mid-gap transport and phase coherence in single-molecule junctions.