Electronic properties of one-dimensional pentacene crystals. (7th October 2020)

• Record Type: Journal Article
• Authors: Nappi, C; Romeo, F; Sarnelli, E
• Is Part Of: Nano express. Volume 1:Number 3(2020)
• Publication Date: 2020-10-07
• Subjects: organic semiconductors -- pentacene -- charge transport -- band structure -- mobility -- one-dimensional crystals; Nanotechnology -- Periodicals; Nanoscience -- Periodicals; 620.5
• DOI: 10.1088/2632-959X/abbcad
• Languages: English
• ISSNs: 2632-959X

Abstract

Abstract: 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.