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观点:如何理解电子摩擦。

Perspective: How to understand electronic friction.

机构信息

Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA.

出版信息

J Chem Phys. 2018 Jun 21;148(23):230901. doi: 10.1063/1.5035412.

DOI:10.1063/1.5035412
PMID:29935525
Abstract

Electronic friction is a correction to the Born-Oppenheimer approximation, whereby nuclei in motion experience a drag in the presence of a manifold of electronic states. The notion of electronic friction has a long history and has been (re-)discovered in the context of a wide variety of different chemical and physical systems including, but not limited to, surface scattering events, surface reactions or chemisorption, electrochemistry, and conduction through molecular-(or nano-) junctions. Over the years, quite a few different forms of electronic friction have been offered in the literature. In this perspective, we briefly review these developments of electronic friction, highlighting the fact that we can now isolate a single, unifying form for (Markovian) electronic friction. We also focus on the role of electron-electron interactions for understanding frictional effects and offer our thoughts on the strengths and weaknesses of using electronic friction to model dynamics in general.

摘要

电子摩擦是对玻恩-奥本海默近似的修正,即在存在多种电子态的情况下,运动中的原子核会受到阻力。电子摩擦的概念由来已久,在各种不同的化学和物理系统中都有(重新)发现,包括但不限于表面散射事件、表面反应或化学吸附、电化学以及通过分子(或纳米)结的传导。多年来,文献中提出了相当多不同形式的电子摩擦。在本文中,我们简要回顾了电子摩擦的这些发展,强调了我们现在可以为(马尔可夫)电子摩擦分离出一个单一的、统一的形式的事实。我们还关注电子-电子相互作用在理解摩擦效应中的作用,并就使用电子摩擦来模拟一般动力学的优缺点提出了我们的看法。

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