Unconventional Current Scaling and Edge Effects for Charge Transport through Molecular Clusters,Nano Letters

当前位置： X-MOL 学术 › Nano Lett. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Unconventional Current Scaling and Edge Effects for Charge Transport through Molecular Clusters
Nano Letters ( IF 9.6 ) Pub Date : 2017-11-01 00:00:00 , DOI: 10.1021/acs.nanolett.7b03066
Veronika Obersteiner ₁ , Georg Huhs _{2,

3} , Nick Papior _{4,

5} , Egbert Zojer ₁

Affiliation

Metal–molecule–metal junctions are the key components of molecular electronics circuits. Gaining a microscopic understanding of their conducting properties is central to advancing the field. In the present contribution, we highlight the fundamental differences between single-molecule and ensemble junctions focusing on the fundamentals of transport through molecular clusters. In this way, we elucidate the collective behavior of parallel molecular wires, bridging the gap between single molecule and large-area monolayer electronics, where even in the latter case transport is usually dominated by finite-size islands. On the basis of first-principles charge-transport simulations, we explain why the scaling of the conductivity of a junction has to be distinctly nonlinear in the number of molecules it contains. Moreover, transport through molecular clusters is found to be highly inhomogeneous with pronounced edge effects determined by molecules in locally different electrostatic environments. These effects are most pronounced for comparably small clusters, but electrostatic considerations show that they prevail also for more extended systems.

中文翻译：

通过分子簇进行电荷传输的非常规电流缩放和边缘效应

金属-分子-金属结是分子电子电路的关键组成部分。对它们的导电特性有一个微观的了解是推动该领域发展的关键。在当前的贡献中，我们着重介绍了单分子和整体结之间的基本差异，重点是通过分子簇传输的基本原理。通过这种方式，我们阐明了平行分子线的集体行为，弥合了单分子与大面积单层电子器件之间的间隙，即使在后者的情况下，运输通常也通常由有限尺寸的岛主导。在第一性原理电荷传输模拟的基础上，我们解释了为什么一个结的电导率的标度必须在其所包含的分子数量上明显地是非线性的。而且，发现通过分子簇的分子迁移非常不均匀，具有明显的边缘效应，该效应是由分子在局部不同的静电环境中确定的。这些效应在较小的簇中最为明显，但静电因素表明它们在更扩展的系统中也占主导地位。

更新日期：2017-11-01

点击分享查看原文

点击收藏

公开下载

阅读更多本刊最新论文本刊介绍/投稿指南11