Steric self-assembly of laterally confined organic semiconductor molecule analogues
Literature Information
Björn Arnold, Matt Bumstead, Ayse Turak
Self-assembly of planar molecules can be a critical route to control morphology in organic optoelectronic systems. In this study, Monte Carlo simulations were performed with polygonal disc analogues to planar semiconducting molecules under confinement. By examining statistically the molecular density and configurations of such analogues, we have observed that the symmetry of the confining medium can have a greater impact on the final densified particle configurations than the intramolecular interactions. Using the steric frustration imparted by confinement, novel self-assembled (partially) ordered phases are available. Our Monte Carlo simulations suggest new avenues to control ordering and morphology of planar molecules, which are critical for high-performance organic optoelectronic devices.
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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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