Isomeric imidazole functionalized bithiophene-based hole transporting materials for stable perovskite solar cells

Jianxing Xia, Vellaichamy Joseph, Albertus Adrian Sutanto, Rajendiran Balasaravanan, Yamuna Ezhumalai, Zhong Xiang Zhang, Jen Shyang Ni, S. Tingare Yogesh, Shueh Lin Yau, Guang Shao, Zeliang Qiu, Abdullah M. Asiri, Ming Chou Chen, Mohammad Khaja Nazeeruddin

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

2,2,7,7-tetrakis(N,N-dip-methoxyphenylamine)-9,9-spirobifluorene (spiro-OMeTAD) is a popular hole-transporting material (HTM) in perovskite solar cells (PSCs), However, it suffers from high-cost and stability issues, which need to be overcome for PSC commercialization. Here, we report isomers of bithiophene-based HTMs functionalized with triarylamine and imidazole for PSCs. The planar 3-ImBT-2D (1) exhibits higher hole mobility than 5-ImBT-2D (2) via modulation of donor-group positions. The PSCs using HTM (1) deliver an excellent power conversion efficiency (PCE) of 21.73% with Li-TFSI doping and 17.79% without dopants. In addition, the Li-TFSI-free device based on 3-ImBT-2D yields a PCE of 21% after HTM surface modification with organic p-dopant dimethylanilinium tetrakis(pentafluorophenyl)borate (DPB). A molecular dynamics study shows that the isomer 3-ImBT-2D (1) folds up after deposition on perovskite films. As a result, the Li-TFSI-free devices exhibit higher stability, retaining 95.9% of the initial PCE after 800 h aging.

Original languageEnglish
Article number101312
JournalCell Reports Physical Science
Volume4
Issue number3
DOIs
StatePublished - 15 Mar 2023

Keywords

  • Li-TFSI free
  • bithiophene
  • hole transporting materials
  • imidazole
  • perovskite solar cells
  • surface p-doping

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