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This dissertation by Parisa Sehati explores the influence of order at interfaces in organic and metallic materials, focusing on their electronic and charge transfer properties, particularly in the context of solar cells. The research investigates the Integer Charge Transfer (ICT) model to understand charge transfer mechanisms at interfaces, emphasizing the roles of π-conjugated molecules, interface dipoles, and molecular order. Key factors such as annealing, material thickness, and surface modification with self-assembled monolayers (SAMs) are analyzed for their impact on energy level alignment. Sehati's work aims to enhance the efficiency of organic electronics, including solar cells, by optimizing the interfacial interactions and energy level alignments. The intended audience includes researchers and professionals in physics, chemistry, and materials science, particularly those interested in organic electronics and photovoltaic technologies.

Charge transfer. --- Interfaces (Physical sciences) --- Charge transfer

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This dissertation by Riccardo Volpi focuses on the theoretical modeling and simulation of charge transport in organic solar cells using Marcus Theory. The work aims to enhance the understanding of organic electronics, particularly in improving efficiency and stability. It explores the morphology of organic materials and their electronic structures, employing methodologies like molecular dynamics and quantum mechanical calculations to study the mobility of charge carriers. The research compares theoretical models with experimental data to refine the theories and identify areas for improvement. This thesis is intended for researchers and professionals in the field of physics, chemistry, and organic electronics, seeking to contribute to advancements in low-cost and environmentally friendly electronic devices.

Charge transfer. --- Organic electronics. --- Charge transfer --- Organic electronics

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This dissertation by Elham Mozafari focuses on the theoretical study of charge transport in molecular crystals, specifically examining the stability and dynamics of polarons as charge carriers. Using numerical calculations based on a semi-empirical model incorporating Holstein and Peierls interactions, the research investigates polaron stability across various parameters such as coupling strengths, vibrational frequencies, and electric fields. It explores the dynamic behavior of polarons under external forces and examines the effects of disorder and temperature on charge dynamics. The study employs MATLAB for simulations, providing insights into molecular crystal behaviors. Aimed at researchers in physics and materials science, the work contributes to understanding charge transport phenomena in complex molecular systems.

Molecular crystals. --- Charge transfer. --- Molecular crystals --- Charge transfer

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CHARGE TRANSFER COMPLEXES --- SILICON COMPOUNDS

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DNA. --- Charge transfer. --- ADN --- Transfert de charge --- Charge transfer --- Electron Transport