Year: 2025
Author: Guangchao Han, Yuanping Yi
Communications in Computational Chemistry, Vol. 7 (2025), Iss. 2 : pp. 127–133
Abstract
With the rapid development of A-D-A non-fullerene acceptors, organic solar cells (OSCs) have made significant progress. However, compared to inorganic and perovskite solar cells, the energy loss in OSCs remains relatively large. In this Perspective, we summarize our recent computational advances in elucidating the mechanisms of energy loss in OSCs at the molecular level. We highlight strategies to minimize voltage loss during charge generation, suppress triplet-channel recombination, and reduce non-radiative voltage loss by modulating both molecular and aggregation structures.
Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/cicc.2025.98.01
Communications in Computational Chemistry, Vol. 7 (2025), Iss. 2 : pp. 127–133
Published online: 2025-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 7
Keywords: organic solar cells voltage loss triplet recombination aggregation multiscale simulations.