Theoretical study of exciton dissociation through hot states at donor–acceptor interface in organic photocell
Literature Information
We theoretically study the dissociation of geminate electron–hole pairs (i.e., excitons) through vibrational hot states at the donor–acceptor interface of organic photocells. To conduct this, we modify the formalism of Rubel et al. [Phys. Rev. Lett., 2008, 100, 196602], and use the theoretical concepts of Arkhipov et al. [Phys. Rev. Lett., 1999, 82, 1321] and Knights et al. [J. Phys. Chem. Sol., 1974, 35, 543] to consider vibrational hot states. The effects of band-offset energy and the dissipation of excess energy are discussed on the basis of calculations of the escape probability for hot electrons. Furthermore, we show that vibrational hot state and delocalization of excitons lead to an increased probability to separate geminate electron–hole pairs.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.












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