First Principle calculations of the internal conversion and intersystem crossing rates of IDIC, Y6, and PC$_{70}$BM.

Anna Leo; yassamina arbia; Alessandro Landi; Andrea Peluso

doi:10.1039/d6fd00012f

journal article Open Access Jan 01, 2026

First Principle calculations of the internal conversion and intersystem crossing rates of IDIC, Y6, and PC$_{70}$BM.

Anna Leo yassamina arbia Alessandro Landi

Andrea Peluso

Faraday Discussions · Royal Society of Chemistry (RSC)

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Abstract

The efficiency of OSCs is controlled by elementary processes occurring within the donor and acceptor domains and at their interface. Herein, we introduce a fully quantum mechanical, first-principles framework for...

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Published: Jan 01, 2026
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Authors

Dipartimento di Chimica e Biologia Adolfo Zambelli, Università di Salerno, Via Giovanni Paolo II, I-84084 Fisciano, SA, Italy

A

Andrea Peluso

Cite This Article

Anna Leo, yassamina arbia, Alessandro Landi, et al. (2026). First Principle calculations of the internal conversion and intersystem crossing rates of IDIC, Y6, and PC$_{70}$BM.. Faraday Discussions. https://doi.org/10.1039/d6fd00012f

First Principle calculations of the internal conversion and intersystem crossing rates of IDIC, Y6, and PC$_{70}$BM.

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