Kim Woo Youn, Choi Young Cheol, Min Seung Kyu, Cho Yeonchoo, Kim Kwang S
Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, San 31, Hyojadong, Namgu, 790-784, Pohang, Korea.
Chem Soc Rev. 2009 Aug;38(8):2319-33. doi: 10.1039/b820003c. Epub 2009 Apr 15.
Rapid progress of nanotechnology requires developing novel theoretical methods to explain complicated experimental results and predict new functions of nanodevices. Thus, for the last decade, one of the challenging works of quantum chemistry is to understand the electron and spin transport phenomena in molecular devices. This critical review provides an extensive survey of on-going research and its current status in molecular electronics with the focus on theoretical applications to diverse types of devices along with a brief introduction of theoretical methods and its practical implementation scheme. The topics cover diverse molecular devices such as molecular wires, rectifiers, field effect transistors, electrical and optical switching devices, nanosensors, spin-valve devices, negative differential resistance devices and inelastic electron tunnelling spectroscopy. The limitations of the presented method and the possible approaches to overcome the limitations are addressed (183 references).
纳米技术的飞速发展需要开发新的理论方法来解释复杂的实验结果并预测纳米器件的新功能。因此，在过去十年中，量子化学的一项具有挑战性的工作是理解分子器件中的电子和自旋输运现象。这篇批判性综述广泛调查了分子电子学领域正在进行的研究及其当前状况，重点是理论在各种类型器件中的应用，并简要介绍了理论方法及其实际实施方案。主题涵盖了多种分子器件，如分子导线、整流器、场效应晶体管、电和光开关器件、纳米传感器、自旋阀器件、负微分电阻器件以及非弹性电子隧穿谱。文中还讨论了所提出方法的局限性以及克服这些局限性的可能途径（参考文献183篇）。
