H2020Индивидуална стипендия2019–2022

SMOLAC · Theoretical design of non-fullerene small molecule acceptors for organic solar cells with improved efficiency.

„Хоризонт 2020“ — Действия „Мария Склодовска-Кюри“

Период: 2019-12-01 → 2022-08-01
Финансиране от ЕС: 174 806 €
Участници: 1
Схема: MSCA-IF

Линиите свързват координатора с партньорите.

Накратко на български

Органичните слънчеви клетки се изследват чрез теоретични модели за създаване на по-ефективни молекули-акцептори. Това ще помогне за разработването на материали, които генерират електрически заряд два пъти по-ефективно от сегашните алтернативи.

Този кратък обзор е генериран от изкуствен интелект

Кратко обяснение, генерирано от езиков модел по текста на CORDIS. Оригиналът е по-долу.

Резултати накратко

Theoretical design of non-fullerene small molecule acceptors for organic solar cells with improved efficiency.

Finding sufficient supplies of clean energy for the future has been a hot topic over the last few decades. It is well known that sunlight provides by far the largest amount of energy of all carbon-neutral energy sources. A number of countries have introduced initiatives to promote the growth of solar power. However, the gap between the present use of solar energy and its undeveloped potential originates from the so far insufficient knowledge and methodology accumulated in this rather young field, which defines a grand challenge in energy research. The development of new theoretical/simulation methodologies, especially those with predictive power, will undoubtedly help technological advances in the field of photovoltaics. With this project implemented, the scientific community would gain a better understanding of organic semiconductors on both microscopic and mesoscopic scales. The developed methodology for fast pre-screening will contribute to the design donor-acceptor pairs for organic solar cells with improved efficiency. The overall objective is developing a theoretical concept to identify and quantify the various processes involved in charge conversion and electron transport. This theoretical concept will help to elaborate design guidelines for screening organic molecules to eliminate inefficient guess-and-check material production. The global goal is to implement my calculations so that advanced solar cell materials could be created that exhibit enhanced charge generation efficiency that is 2 times better than state-of-the-art alternatives.

Текст от CORDIS, на английски · Данни: CORDIS, © Европейски съюз

Цел на проекта

Organic solar cells are lightweight, mechanically flexible and potentially printable devices. To split an exciton, these cells use a mixture of electron donor and acceptor materials. At present, most of the electron acceptors are made up of fullerenes or their derivatives. However, fullerenes exhibit only weak light absorption in the visible spectrum. Hence, practically half of the active material in the solar cell does not collect light and thus does not contribute to exciton and charge generation, thereby limiting the maximum efficiency of organic solar cells to 12%. Recent experimental and theoretical works show that it is possible to improve this low efficiency by replacing fullerene acceptors with small molecules (strong dyes). These strong dyes can change the energy profile of the donor-acceptor interface in a way that improves the solar cell behavior by causing it to favor more efficient charge-transferred state splitting. The mechanism by which the efficiency is improved is complex and not well-understood and is mediated by the strong dye’s ability to alter the electrostatic forces felt by generated excitons. However, a rational approach to design such non-fullerene acceptors on a molecular level, accounting for the complex electrostatic interactions, has not been developed.In-depth molecular level understanding of donor-(non-fullerene) acceptor interfaces, including long-range electrostatic effects, is the first goal of this proposal. It will include simulations of morphologies and evaluation of electrostatic forces at donor-non-fullerene acceptor interfaces for several experimentally well-characterized systems. The second step will include the design of a pre-screening workflow for new acceptors, focusing on the optimization of the efficiency of the charge-transferred state splitting and minimization of the open circuit voltage losses.

Оригинален текст от CORDIS (на английски).

Участници

MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV · MUNCHENКоординаторГермания