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REVIEW article

Front. Chem.

Sec. Green and Sustainable Chemistry

Volume 13 - 2025 | doi: 10.3389/fchem.2025.1694198

This article is part of the Research TopicFuture of Energy: Optimizing Performance and Sustainability in PSCs and LIBsView all articles

Tuning the Performance of PSCs Using the Effective Organic Molecular Hole-transporting Materials:A Review

Provisionally accepted
Xiu-wen  ZouXiu-wen ZouPiao  GuoPiao GuoYing-ying  ZhouYing-ying ZhouYi-ming  LuoYi-ming LuoYuan-yuan  LiYuan-yuan Li*Qi-Yuan  YangQi-Yuan Yang*
  • Nanning Normal University, Guangxi Key Laboratory of Natural Polymer Chemistry and Physics, Nanning, China

The final, formatted version of the article will be published soon.

Abstract: This review article discusses the current designs and synthetic procedures for organic small molecules as hole-transporting materials (HTMs) with a focus on their structure–property correlation, short circuit current density (Jsc), open-circuit voltage (Voc),fill factor (FF) and power conversion efficiency (PCE), as well as their material optimization. While optimizing non-planar spiro like compounds, various conjugated aromatic, planar molecules, and even porphyrin metal complexes are being developed have been studied as being important for the generation of new HTMs. Heteroatoms such as oxygen, sulfur, nitrogen, silicon, and selenium have been proven to be beneficial for the development of more stable and cost-effective HTMs and perovskite solar cells (PSCs), developing a new organic molecular to be HTMs or HTMs-dopant would be a viable approach for PSCs. A deeper understanding of the organic small molecular perovskite/HTMs can also provide insight into the design of novel molecular architectures capable of achieving effective and stable PSCs systems. Finally, an outlook is presented for the further development of conventional PSCs with organic molecular HTMs.

Keywords: Hole-transporting materials (HTMs), Perovskite Solar Cells (PSCs), organicmolecular, Spiro-OMeTAD, Power conversion efficiency (PCE)

Received: 28 Aug 2025; Accepted: 13 Oct 2025.

Copyright: © 2025 Zou, Guo, Zhou, Luo, Li and Yang. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

* Correspondence:
Yuan-yuan Li, 59039344@qq.com
Qi-Yuan Yang, yqy@nnnu.edu.cn

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