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Design rules for Novel Organic photoVoltaics from natural phOtosystems through computational modelling

Project description

Studying photosynthesis to improve solar cells

The fight against climate change has created a need for innovative green energy solutions that are continuously evolving to support the transition to more sustainable and efficient energy converters. Supported by the Marie Skłodowska-Curie Actions programme, the DeNOVO project aims to develop efficient molecular solar energy converters and advance solar cell technology by drawing inspiration from photosynthesis and its highly efficient mechanisms. The project plans to apply new computer algorithms to understand and optimise the intrinsic quantum processes underlying solar-to-photochemical energy conversion in both natural and artificial systems. This new knowledge will inform the development of advanced materials and improved organic photovoltaic architectures.

Objective

Through photosynthesis, nature has mastered the process of harvesting solar energy and converting it into vital chemical products. Carefully constructed assemblies of light-absorbing molecules, such as chlorophylls, collect light energy from the sun to generate excited species (called excitons) that can spread out among different molecules. These extended excitons travel very efficiently to specific locations where they break into charges, driving photosynthesis. What secrets enable nature to carry out these tasks so efficiently, and how can we draw inspiration from them?
Among the materials used for artificial solar energy conversion, organic solar cells made of carbon and hydrogen follow similar steps to natural photosystems and offer practical advantages: chemical tunability, flexibility, and transparency. These low-cost materials can make clean energy more widely accessible and help combat dangerous climate change. Yet, efficient molecular solar energy converters require better design strategies. DeNOVO applies state-of-the-art computation to understand and optimize the primary electronic steps in molecular photovoltaics, drawing insights from evolution's exquisite molecular design.
In synergy with the host group, which offers training on advanced multiscale algorithms, I will develop a novel method to simulate the entire process, from light absorption to charge separation, in complex systems spanning a wide range of time scales. I will model energy conversion in both well-studied and new photosystems and will implement natural system features (e.g. well-controlled morphology, reduced interfacial volume) in simplified photovoltaic architectures. These design strategies should enhance morphological stability, boost charge separation driven by enhanced quantum delocalization, and reduce energy losses. The long-term goal is to develop scientific knowledge that can support decision-making in technology development and mainstreaming of new renewable energy sources.

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Programme(s)

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Topic(s)

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Funding Scheme

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HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European Fellowships

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Call for proposal

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(opens in new window) HORIZON-MSCA-2023-PF-01

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Coordinator

UNIVERSITA DI PISA
Net EU contribution

Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.

€ 172 750,08
Address
LUNGARNO PACINOTTI 43/44
56126 PISA
Italy

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Region
Centro (IT) Toscana Pisa
Activity type
Higher or Secondary Education Establishments
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Total cost

The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.

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