Vibronic Photoexcitation Dynamics of Perylene Diimide: Computational Insights

Autor:	Hassiel Negrin-Yuvero, Aliya Mukazhanova, Victor M. Freixas, Sergei Tretiak, Sahar Sharifzadeh, Sebastian Fernandez-Alberti
Rok vydání:	2022
Předmět:	Physical and Theoretical Chemistry
Zdroj:	The journal of physical chemistry. A. 126(5)
ISSN:	1520-5215
Popis:	Perylene diimide (PDI) represents a prototype material for organic optoelectronic devices because of its strong optical absorbance, chemical stability, efficient energy transfer, and optical and chemical tunability. Herein, we analyze in detail the vibronic relaxation of its photoexcitation using nonadiabatic excited-state molecular dynamics simulations. We find that after the absorption of a photon, which excites the electron to the second excited state, S
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::07eb0394b6455e20e9f509d0afa7e38b https://pubmed.ncbi.nlm.nih.gov/35084863 Zobrazit plný text záznamu