MOSAIC · Mode-selective ab-initio photoinduced dynamics in conjugated polymers
„Хоризонт Европа“ — Действия „Мария Склодовска-Кюри“
- Период
- 2024-07-01 → 2026-06-30
- Финансиране от ЕС
- 211 755 €
- Участници
- 3
- Схема
- HORIZON-TMA-MSCA-PF-EF
Линиите свързват координатора с партньорите.
Накратко на български
$\pi$-конюгираните полимери, като звездовидните дендримери, се изследват чрез компютърни симулации, за да се разбере как се движи енергията в тях след абсорбиране на светлина. Това помага за създаването на по-ефективни слънчеви панели, екрани и електроника.
Кратко обяснение, генерирано от езиков модел по текста на CORDIS. Оригиналът е по-долу.
Резултати накратко
Mode-selective ab-initio photoinduced dynamics in conjugated polymers
Sunlight is abundant, but figuring out how to efficiently grab that energy and convert it into something useful, like electricity for our homes, is a big puzzle. This research project dives into the world of a special type of molecules called "π-conjugated polymers." We can think of them as microscopic antennas that are really good at absorbing sunlight, particularly the colors we see. For instance, there are star-shaped molecules called dendrimers that are incredibly efficient at collecting energy and funneling it to a central point. Moreover, these polymers are building blocks for new kinds of materials that could advance technologies like screens, electronics, and solar panels. This project focuses on specific sunlight-absorbing molecules that act as models for understanding the behavior of more complex materials that could be used in technological applications. We want to understand exactly how the energy moves around inside these molecules after they absorb light. This involves figuring out how the molecule's structure influences this energy transfer. To do this, we'll use powerful computer simulations. One of the goals is to go beyond standard ways of simulating these molecules and incorporate quantum effects in the simulations. In the quantum world, things don't always behave as we expect in our everyday lives. By tackling the complex quantum dynamics of energy transfer in these molecules, scientists hope to get a more accurate picture of how the energy behaves. They'll also explore if it's possible to control this energy flow using carefully designed light pulses. The significance of this project lies in its focus on the fundamental science that underpins these technologies. Think of this project as laying the groundwork for a new generation of energy-harvesting and electronic materials. The insights gained will provide a roadmap for chemists and materials scientists to design and synthesize new organic materials with tailored properties for better solar cells, advanced electronics, and artificial light-harvesting systems. This research will pave the way for more efficient and sustainable energy solutions for the future.
Текст от CORDIS, на английски · Данни: CORDIS, © Европейски съюз
Цел на проекта
Organic conjugated materials (OCMs) possess unique electronic properties compared with other traditional semiconductor materials, due to the delocalization and high polarizability of π-electrons supporting the motion of charge carriers, as well as their significant electronic correlation and electron-phonon couplings. They present a remarkable flexibility allowing to tune their optical, electronic and mechanical properties at will through molecular engineering, making OCMs most suitable for a broad range of technical applications ranging from optoelectronics, as components of light-emitting diodes, to photovoltaic cells.Rigidity and conjugation, as well as the interchromophoric geometry, play a crucial role in the primary energy transfer mechanisms along aconjugated polymer (i.e., through-bond or through-space processes). The strong coupling between the electronic and nuclear degrees of freedom leads to self-trapping and spatial localization of excitons, in a region whose spatial length is determined by conformational defects. Manipulating these nuclear degrees of freedom may lead to a blockade or an enhancement of energy transfer along the bond. Recent experiments have pointed out that in specific polymers exciton transfer is a coherent process rather than a sequence of incoherent hopping type events. The accurate description of these photoinduced pathways considering all degrees of freedom involved constitutes a challenge to date.The goal of the fellowship is to advance state-of-the-art computational methods for describing the photoinduced and laser-driven, coupled electron-nuclear dynamics of large conjugated molecules, with the aim to include quantum coherence effects and to enable predictive calculations of exciton dynamics and of energy transfer in such polymeric systems.The researcher will carry out the fellowship in the Laboratory of Collisions, Aggregates and Reactivity, University of Toulouse III, under the supervision of Dr. Nadine Halberstadt.
Оригинален текст от CORDIS (на английски).
Участници
Връзки
- Виж в CORDIS
- DOI: 10.3030/101155733
- https://ec.europa.eu/research/participants/documents/downloadPublic?documentIds=080166e51b1eba31&appId=PPGMS
- https://ec.europa.eu/research/participants/documents/downloadPublic?documentIds=080166e529967ab4&appId=PPGMS
Данни: CORDIS, © Европейски съюз
