Abstract
I have investigated the diverse ways in which molecular and morphological features on the microscopic and mesoscopic scale jointly condition the density of states of charge carriers and charge transfer states in organic semiconductors. Using particle-based descriptions with atomistic or coarse-grained resolution, the underlying computational framework has enabled quantitative insight into the energetics of organic heterostructures, grain boundaries, partially ordered polymeric and amorphous mesophases relevant in organic solar cells, light-emitting diodes and transistors. Long-range interactions in particular have proven fundamental to the study of organic semiconductors, relating the energetics on a molecular and supramolecular level to device-level characteristics. In this final chapter, I will retrace the derived structure-property relationships and design rules for organic electronic devices, outlining challenges in the understanding and modelling of organic semiconductors.
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Poelking, C.R. (2018). Conclusions and Outlook. In: The (Non-)Local Density of States of Electronic Excitations in Organic Semiconductors. Springer Theses. Springer, Cham. https://doi.org/10.1007/978-3-319-69599-0_7
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DOI: https://doi.org/10.1007/978-3-319-69599-0_7
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