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In the field of organic semiconductors researchers and manufacturers are faced with a wide range of potential molecules. This work presents concepts for simulation-based predictions of material characteristics starting from chemical stuctures. The focus lies on charge transport - be it in microscopic models of amorphous morphologies, lattice models or large-scale device models.An extensive introductory review, which also includes experimental techniques, makes this work interesting for a broad readership. Contents: Organic Semiconductor DevicesExperimental TechniquesCharge Dynamics at Dierent ScalesComputational MethodsEnergetics and Dispersive TransportCorrelated Energetic LandscapesMicroscopic, Stochastic and Device SimulationsParametrization of Lattice ModelsDrift-Diusion with Microscopic Link
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This dissertation by Qingqing Wang explores the electronic structures of two-dimensional molecular crystals (2DMCs) and their correlation with properties, focusing on organic semiconductors. The study delves into the unique advantages of 2DMCs, such as long-range molecular packing and low defect density, which make them ideal for exploring structure-property relationships and developing high-performance optoelectronic devices. The work emphasizes the gap in understanding the intrinsic properties of organic single crystals compared to inorganic counterparts. The research utilizes advanced surface science techniques to investigate the electronic structure of organic materials like C6-DPA and perylene, highlighting their potential applications in organic electronics. The dissertation is aimed at researchers and professionals in the field of materials science and electronic engineering, seeking to advance the understanding and development of organic semiconductors.
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This dissertation by Xian’e Li focuses on the study of interfaces in organic solar cells (OSCs), highlighting their significance in electronic devices. Organic semiconductors, known for their lightweight, flexible, and tunable properties, have been critical in advancing OSCs, which now achieve efficiencies close to 20%. The research investigates energy level alignment (ELA) at various interfaces within OSCs, examining how these energetics influence device performance. The work identifies the pinning energies of newly developed donor and non-fullerene acceptor systems, exploring their impact on interface vacuum level shifts. Additionally, the thesis addresses the effects of environmental factors like water and oxygen on the work functions of organic films. The study concludes with recommendations for efficient charge-transport-layer-free OSCs, emphasizing simplified device structures for enhanced performance. The intended audience includes researchers and professionals in the field of organic electronics and materials science.
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"This up-to-date reference for students and researchers in the field is the first systematic treatment of the property measurements of organic semiconductor materials. Following an introduction, the book goes on to treat the structural analysis of thin films and spectroscopy of electronic states. Subsequent sections deal with optical spectroscopy and charge transport. An invaluable source for understanding, handling and applying this key type of material for physicists, materials scientists, graduate students, and analytical laboratories."--P. [4] of cover.
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