Delocalization of exciton and electron wavefunction in non-fullerene acceptor molecules enables efficient organic solar cells

Guichuan Zhang, Xian Kai Chen, Jingyang Xiao, Philip C.Y. Chow, Minrun Ren, Grit Kupgan, Xuechen Jiao, Christopher C.S. Chan, Xiaoyan Du, Ruoxi Xia, Ziming Chen, Jun Yuan, Yunqiang Zhang, Shoufeng Zhang, Yidan Liu, Yingping Zou, He Yan, Kam Sing Wong, Veaceslav Coropceanu, Ning LiChristoph J. Brabec, Jean Luc Bredas, Hin Lap Yip, Yong Cao

研究成果: Contribution to journalArticle査読

108 被引用数 (Scopus)

抄録

A major challenge for organic solar cell (OSC) research is how to minimize the tradeoff between voltage loss and charge generation. In early 2019, we reported a non-fullerene acceptor (named Y6) that can simultaneously achieve high external quantum efficiency and low voltage loss for OSC. Here, we use a combination of experimental and theoretical modeling to reveal the structure-property-performance relationships of this state-of-the-art OSC system. We find that the distinctive π–π molecular packing of Y6 not only exists in molecular single crystals but also in thin films. Importantly, such molecular packing leads to (i) the formation of delocalized and emissive excitons that enable small non-radiative voltage loss, and (ii) delocalization of electron wavefunctions at donor/acceptor interfaces that significantly reduces the Coulomb attraction between interfacial electron-hole pairs. These properties are critical in enabling highly efficient charge generation in OSC systems with negligible donor-acceptor energy offset.

本文言語英語
論文番号3943
ジャーナルNature communications
11
1
DOI
出版ステータス出版済み - 12 1 2020
外部発表はい

All Science Journal Classification (ASJC) codes

  • 化学 (全般)
  • 生化学、遺伝学、分子生物学(全般)
  • 物理学および天文学(全般)

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