Issue

Vol. 17 (2025)

Multifunctional Graphdiyne Enables Efficient Perovskite Solar Cells via Anti-Solvent Additive Engineering

https://doi.org/10.1007/s40820-024-01630-y
Cong Shao
CAS Key Laboratory of Organic Solids, Institute of Chemistry, Beijing National Laboratory for Molecular Sciences, Chinese Academy of Sciences, Beijing 100049, People’s Republic of China
Jingyi He
CAS Key Laboratory of Organic Solids, Institute of Chemistry, Beijing National Laboratory for Molecular Sciences, Chinese Academy of Sciences, Beijing 100049, People’s Republic of China
Jiaxin Ma
CAS Key Laboratory of Organic Solids, Institute of Chemistry, Beijing National Laboratory for Molecular Sciences, Chinese Academy of Sciences, Beijing 100049, People’s Republic of China
Yirong Wang
University of Chinese Academy of Sciences, Beijing 100049, People’s Republic of China
Guosheng Niu
CAS Key Laboratory of Organic Solids, Institute of Chemistry, Beijing National Laboratory for Molecular Sciences, Chinese Academy of Sciences, Beijing 100049, People’s Republic of China
Pengfei Zhang
University of Chinese Academy of Sciences, Beijing 100049, People’s Republic of China
Kaiyi Yang
CAS Key Laboratory of Organic Solids, Institute of Chemistry, Beijing National Laboratory for Molecular Sciences, Chinese Academy of Sciences, Beijing 100049, People’s Republic of China
Yao Zhao
National Centre for Mass Spectrometry in Beijing, CAS Key Laboratory of Analytical Chemistry for Living Biosystems, Beijing National Laboratory for Molecular Sciences, Chinese Academy of Sciences, Beijing 100049, People’s Republic of China
Fuyi Wang
University of Chinese Academy of Sciences, Beijing 100049, People’s Republic of China
Yongjun Li
CAS Key Laboratory of Organic Solids, Institute of Chemistry, Beijing National Laboratory for Molecular Sciences, Chinese Academy of Sciences, Beijing 100049, People’s Republic of China
Jizheng Wang
CAS Key Laboratory of Organic Solids, Institute of Chemistry, Beijing National Laboratory for Molecular Sciences, Chinese Academy of Sciences, Beijing 100049, People’s Republic of China

Corresponding Author: Jizheng Wang

jizheng@iccas.ac.cn

Nano-Micro Letters, Vol. 17 (2025), Article Number: 121

Abstract

Finding ways to produce dense and smooth perovskite films with negligible defects is vital for achieving high-efficiency perovskite solar cells (PSCs). Herein, we aim to enhance the quality of the perovskite films through the utilization of a multifunctional additive in the perovskite anti-solvent, a strategy referred to as anti-solvent additive engineering. Specifically, we introduce ortho-substituted-4′-(4,4″-di-tert-butyl-1,1′:3′,1″-terphenyl)-graphdiyne (o-TB-GDY) as an AAE additive, characterized by its sp/sp2-cohybridized and highly π-conjugated structure, into the anti-solvent. o-TB-GDY not only significantly passivates undercoordinated lead defects (through potent coordination originating from specific high π–electron conjugation), but also serves as nucleation seeds to effectively enhance the nucleation and growth of perovskite crystals. This markedly reduces defects and non-radiative recombination, thereby increasing the power conversion efficiency (PCE) to 25.62% (certified as 25.01%). Meanwhile, the PSCs exhibit largely enhanced stability, maintaining 92.6% of their initial PCEs after 500 h continuous 1-sun illumination at ~ 23 °C in a nitrogen-filled glove box.


Highlights:
1 The use of novel nanographdiyne (o-TB-GDY) via anti-solvent additive engineering significantly enhances the nucleation and growth of perovskite crystals, leading to improved film quality, reduced film defects and suppressed non-radiative recombination.
2 o-TB-GDY primarily remains on the surface of the perovskite films after crystallization, where it strongly interacts with the undercoordinated Pb defects for effective passivation.
3 The optimized perovskite solar cells achieve a champion power conversion efficiency of 25.62% (certified as 25.01%) with good stability.

Keywords

Perovskite solar cells Graphdiyne Anti-solvent additive engineering Crystallization Defect passivation
Shao, Cong, Jingyi He, Jiaxin Ma, Yirong Wang, Guosheng Niu, Pengfei Zhang, Kaiyi Yang, Yao Zhao, Fuyi Wang, Yongjun Li, and Jizheng Wang. 2025. “Multifunctional Graphdiyne Enables Efficient Perovskite Solar Cells via Anti-Solvent Additive Engineering”. Nano-Micro Letters 17 (January):121. https://doi.org/10.1007/s40820-024-01630-y.
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