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- W3022454041 abstract "Abstract Molecular crystals have been used as prototypes for studying the energetic and dynamic properties of charge carriers in organic electronics. The growing interest in oligoacenes and fused-ring oligothiophenes in the last two decades is due, in particular, to the success achieved in conceiving pentacene-based organic photovoltaic devices. In the present work, a one-dimensional Holstein-Peierls model is designed to study the temperature-dependent polaron transport in pentathienoacene (PTA) lattices. The tight-binding Hamiltonian employed here takes into account intra and intermolecular electron-lattice interactions. Results reveal that polarons in PTAs can be stable structures even at high temperatures, about 400 K. During the dynamical process, these charge carriers present a typical 1D random walk diffusive motion with a low activation energy of 13 meV and a room temperature diffusivity constant of 1.07 × 10 −3 cm 2 s −1 . Importantly, these critical values for the polaron diffusion and activation energy are related to the choice of model parameters, which are adopted to describe pristine lattices." @default.
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- W3022454041 date "2020-05-06" @default.
- W3022454041 modified "2023-10-12" @default.
- W3022454041 title "Polaron Diffusion in Pentathienoacene Crystals" @default.
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- W3022454041 doi "https://doi.org/10.1038/s41598-020-63699-w" @default.
- W3022454041 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7203253" @default.
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