A Ring2Vec description method enables accurate predictions of molecular properties in organic solar cells

Abstract Predicting the properties of non-fullerene acceptors (NFAs), complex organic molecules used in organic solar cells (OSCs), poses a significant challenge. Some existing approaches primarily focus on atom-level information and may overlook high-level molecular features, including the subunits...

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Bibliographic Details
Main Authors: Ting Zhang, Kangzhong Wang, Kunlei Jing, Gang Li, Qing Li, Chen Zhang, He Yan
Format: Article
Language:English
Published: Nature Portfolio 2024-11-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-024-01372-w
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