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Updated: May 10, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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End-Group Modulation in a High Electron Mobility Y-Series Nonfullerene Acceptor Achieved Based on the DFT Method

Zhengli Zhang1,2, Zhao Ding1,2, Xiang Guo1,2

  • 1College of Big Data and Information Engineering, Guizhou University, Huaxi Road, Huaxi District, Guiyang, Guizhou550025, P. R. China.

ACS Omega
|April 28, 2025
PubMed
Summary

Modifying the end-groups of Y6 acceptors significantly impacts organic solar cell power conversion efficiency (PCE). Precise engineering enhances electron mobility and PCE, with V7 and V5 showing leading performance.

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