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journal article·2025-09

Noncovalent Conformational Dopant‐Free Hole Transport Materials with Multisite Passivation for Stable n‐i‐p Perovskite Solar Cells

Mengde Zhai, Naoyuki Shibayama, Telugu Bhim Raju, Tianhao Wu, Cheng Chen, Zhanglin Guo, Toshinori Matsushima, Tsutomu Miyasaka, Ming Cheng

Small· Volume 21· Issue 36
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Source abstract

Abstract

Abstract High‐performance, dopant‐free hole transport materials (HTMs) play a crucial role in stabilized perovskite solar cells (PSCs). Skillfully using noncovalent bonding strategies to construct dopant‐free HTM is both attractive and challenging. In this work, two dopant‐free HTMs with multisite passivation are designed and synthesized. The core backbone is a heterocyclic lactam, and the intramolecular F···S noncovalent bonds are tuned by adjusting the position of F atoms. In TTPA‐iF molecule, the noncovalent conformational lock minimizes the rotation of the core‐terminal unit. This, in turn, reduces unfavorable reorganization energy and increases the molecular dipole moment. Compared to the amorphous films of TTPA‐mF, the TTPA‐iF films exhibit ordered molecular stacking and higher hole mobility. The rigid molecular conformation of TTPA‐iF allows for more effective reduction of interfacial traps through multiple passivation sites and promotes carrier transport. As a result, PSCs with dopant‐free TTPA‐iF achieve a top efficiency of 24.28% and show significantly enhanced stability under various conditions in comparison to conventional doped HTMs. This research offers valuable insights and material options for the development of high‐performance, dopant‐free HTMs.
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Research context

Electronic materials

OpenAlex topics: Perovskite Materials and Applications · Conducting polymers and applications · Chalcogenide Semiconductor Thin Films

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Institute for Energy Research School of Energy and Power Engineering Jiangsu University Zhenjiang 212013 China

International Institute for Carbon‐Neutral Energy Research (WPI‐I2CNER) Kyushu University 744 Motooka Nishi Fukuoka 819‐0395 Japan

Department of Automotive Science Graduates School of Integrated Frontier Sciences Kyushu University 744 Motooka Nishi Fukuoka 819‐0395 Japan

Toin University of Yokohama 1614 Kurogane‐cho, Aoba Yokohama Kanagawa 225–8503 Japan

Center for Energy Systems Design (CESD) International Institute for Carbon‐Neutral Energy Research (WPI‐I2CNER) Kyushu University 744 Motooka Nishi Fukuoka 819‐0395 Japan

Funding

National Natural Science Foundation of China · Precursory Research for Embryonic Science and Technology · Japan Science and Technology Agency · New Energy and Industrial Technology Development Organization · Science and Technology Research Partnership for Sustainable Development · Iwatani Naoji Foundation · Kyushu University · Natural Science Foundation of Jiangsu Province

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