分子整流的实验与理论研究进展

分子电子器件的思想始于20世纪70年代，分子整流的研究在30多年中取得了显著进展，包括分子结构设计、实验测量以及理论模拟。本文简述了分子整流的发展历程，介绍了被广泛研究的分子整流体系以及分子水平整流机理，包括D-σ-A型、D-π-A型、D-A型、构象转变和界面引起的整流，以及负微分电阻现象。最后提出了分子整流研究中存在的一些问题，并展望了分子整流的研究和发展方向。

Experimental and Theoretical Study of Molecular Rectification

The field of molecular electronics was initiated in 1970s, when Aviram and Ratner proposed a concept for a molecular rectifier based on a single organic molecule. The molecular rectification has received great progress in the latest 30 years, both in experimental measurement and theoretical simulation. In this paper, we review the recent investigation on molecular rectification, both of molecular structures and rectification mechanisms. Several rectification mechanisms have been summarized, such as D-σ-A, D-π-A and D-A types, rectification induced by conformation reverse and interface. The negative differential resistance is also addressed, which is induced by charging, conformational flexibility, intermolecular charge transfer, molecular double dot, and the polaron mechanism. Finally, the problems and challenges in the study of molecular rectification are proposed. Contents
1 Introduction
2 Experimental measurements
3 Mechanisms of molecular rectification
3.1 D-σ-A type of molecular rectification
3.2 D-π-A type of molecular rectification
3.3 D-A type of molecular rectification
3.4 Molecular rectification induced by conformation reverse
3.5 Molecular Rectification induced by interface
3.6 Negative differential resistance
4 Conclusion and prospective