Polaron properties in pentathienoacene crystals

Resumo

Keywords: Pentathienoacene Charge transport Polaron properties Organic molecular crystals A two-dimensional tight-binding model is used to study static and dynamical properties of polarons in pentathienoacene crystals. Our computational approach determines the spacial parameter to obtain stable polarons in these materials by using a version of the Holstein–Peierls Hamiltonian. The model takes intra and intermolecular electron-lattice interactions into account. Remarkably, the results show that the charge transport mechanism is essentially one-dimensional in pentathienoacene crystals. This property is due to the nature of the polaron localization. Moreover, we show that the polaron dynamics can occur for an electric field threshold that overcomes the standard value of organic crystalline semiconductors.

SYNTHETIC METALS, 2019 · Fator de impacto 4,5.

DOI 10.1016/j.synthmet.2019.04.016