The electronic properties of an infinite row of freestanding, aligned side-by-side, pentacene molecules are derived as a function of the intermolecular overlap integral and the chemical potential shift. We use a semiclassical approximation and a first principles tight binding method to obtain conductance and mobility of this one-dimensional crystal as a function of temperature and gate voltage. For two values of the intermolecular overlap, energy bands show a metallic behavior. For all the other values, a bandgap is present and evolves with the intermolecular overlap following a typical modulation. The magnitude of the scattering parameters estimated by the observed conductivity is coherent with the existing literature values. These findings could be relevant for the implementation of organic-based sensors.

中文翻译：

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一维并五苯晶体的电子性质

无限行的独立，并排排列的并五苯分子的电子性质是分子间重叠积分和化学势移的函数。我们使用半经典近似和第一原理紧密结合方法来获得该一维晶体的电导率和迁移率，其是温度和栅极电压的函数。对于分子间重叠的两个值，能带显示出金属行为。对于所有其他值，存在带隙并在典型调制后随着分子间重叠而发展。由观察到的电导率估计的散射参数的大小与现有文献值一致。这些发现可能与基于有机物的传感器的实施有关。