Intermolecular conical intersections in molecular aggregates

Antonietta De Sio, Ephraim Sommer, Xuan Trung Nguyen, Lynn Groß, Duško Popović, Benjamin Tyler Nebgen, Sebastian Fernandez-Alberti, Stefano Pittalis, Carlo Andrea Rozzi, Elisa Molinari, Elena Mena-Osteritz, Peter Bäuerle, Thomas Frauenheim, Sergei Tretiak, Christoph Lienau

Результат исследований: Вклад в журналСтатьярецензирование

8 Цитирования (Scopus)

Аннотация

Conical intersections (CoIns) of multidimensional potential energy surfaces are ubiquitous in nature and control pathways and yields of many photo-initiated intramolecular processes. Such topologies can be potentially involved in the energy transport in aggregated molecules or polymers but are yet to be uncovered. Here, using ultrafast two-dimensional electronic spectroscopy (2DES), we reveal the existence of intermolecular CoIns in molecular aggregates relevant for photovoltaics. Ultrafast, sub-10-fs 2DES tracks the coherent motion of a vibrational wave packet on an optically bright state and its abrupt transition into a dark state via a CoIn after only 40 fs. Non-adiabatic dynamics simulations identify an intermolecular CoIn as the source of these unusual dynamics. Our results indicate that intermolecular CoIns may effectively steer energy pathways in functional nanostructures for optoelectronics.

Язык оригиналаАнглийский
Страницы (с-по)63-68
Число страниц6
ЖурналNature Nanotechnology
Том16
Номер выпуска1
DOI
СостояниеОпубликовано - янв. 2021
Опубликовано для внешнего пользованияДа

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