生物电子学中的Landauer公式
A Landauer Formula for Bioelectronic Applications
摘要：
最近的电子传输实验使用金属接触附着在蛋白质上，确定了一些“程式化的事实”，这与传统的观点相矛盾，即增加电极之间的空间距离或温度会指数地抑制电导。这些包括在30- 300 K范围内的蛋白质上的几乎与温度无关的电导，在1-10 nm范围内的单个蛋白质内的与距离无关的电导，以及在0.1-10 nS范围内的非常大的电导。在本文中，我们开发了一个推广的低温Landauer公式，可以占隧道效应和退相干的联合作用，并可以解释这些新的实验结果。我们使用新的近似，大大简化了数学处理，使我们能够计算电导方面的少数宏观参数，而不是无数的微观参数描述的原子级量子化学计算的细节。这种新方法可以预测新实验的结果，而不仅仅依赖于高性能计算，并且可以从传输特性的角度区分蛋白质结构的重要和不重要的细节。
英文摘要：
Recent electronic transport experiments using metallic contacts attached to proteins identified some 'stylized facts' which contradict conventional wisdom that increasing either the spatial distance between the electrodes or the temperature suppresses conductance exponentially. These include nearly temperature independent conductance over the protein in the 30-300K range, distance independent conductance within a single-protein in the 1-10 nm range and an anomalously large conductance in the 0.1-10 nS range. In this paper we develop a generalization of the low temperature Landauer formula which can account for the joint effects of tunneling and decoherence and can explain these new experimental findings. We use novel approximations which greatly simplify the mathematical treatment and allow us to calculate the conductance in terms of a handful macroscopic parameters instead of the myriads of microscopic parameters describing the details of an atomic level quantum chemical computation. The new approach makes it possible to get predictions for the outcomes of new experiments without relying solely on high performance computing and can distinguish important and unimportant details of the protein structures from the point of view of transport properties.
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