ArticleNanomaterials (Basel, Switzerland)2021
Coarse-Grained Quantum Theory of Organic Photovoltaic Devices.
Article in Nanomaterials (Basel, Switzerland), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Understanding the exciton dissociation process in organic solar cells is a fundamental issue for the design of high-performance photovoltaic devices. In this article, a parameterized quantum theory based on a coarse-grained tight-binding model plus non-local electron-hole interactions is presented, while the diffusion and recombination of excitons are studied in a square lattice of excitonic states, where a real-space renormalization method on effective chains has been used. The Hamiltonian parameters are determined by fitting the measured quantum efficiency spectra and the theoretical short-circuit currents without adjustable parameters show a good agreement with the experimental ones obtained from several polymer:fullerene and polymer:polymer heterojunctions. Moreover, the present study reveals the degree of polymerization and the true driving force at donor-acceptor interface in each analyzed organic photovoltaic device.
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