De Novo Design of Spiro-Type Hole-Transporting Material: Anisotropic Regulation Toward Efficient and Stable Perovskite Solar Cells

Journal Article · 23 March 2024 · Research

DOI: https://doi.org/10.34133/research.0332 · OSTI ID:2426884

Wang, Xuran ^[1]; Wang, Mingliang ^[2]; Zhang, Zilong ^[3]; Wei, Dong ^[4]; Cai, Shidong ^[2]; Li, Yuheng ^[3]; Zhang, Rui ^[5]; Zhang, Liangliang ^[1]; Zhang, Ruidan ^[2]; Zhu, Chenhui ^[6]; Huang, Xiaozhen ^[1]; Gao, Feng ^[5]; Gao, Peng ^[3]; Wang, Yang ^[1]; Huang, Wei  ^[7]

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1. Fujian Normal University (China). Strait Laboratory of Flexible Electronics (SLoFE)
2. Fujian Normal University (China)
3. Chinese Academy of Sciences (CAS) (China)
4. Fujian Normal University (China).
5. Linköping University (Sweden)
6. Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
7. Fujian Normal University (China). Strait Laboratory of Flexible Electronics (SLoFE); Northwestern Polytechnical University (China); Nanjing Tech University (China)

2,2',7,7'-Tetrakis(N,N-di-p-methoxyphenyl)-amine-9,9'-spirobifluorene (Spiro-OMeTAD) represents the state-of-the-art hole-transporting material (HTM) in n-i-p perovskite solar cells (PSCs). However, its susceptibility to stability issues has been a long-standing concern. In this study, we embark on a comprehensive exploration of the untapped potential within the family of spiro-type HTMs using an innovative anisotropic regulation strategy. Diverging from conventional approaches that can only modify spirobifluorene with single functional group, this approach allows us to independently tailor the two orthogonal components of the spiro-skeleton at the molecular level. The newly designed HTM, SF-MPA-MCz, features enhanced thermal stability, precise energy level alignment, superior film morphology, and optimized interfacial properties when compared to Spiro-OMeTAD, which contribute to a remarkable power conversion efficiency (PCE) of 24.53% for PSCs employing SF-MPA-MCz with substantially improved thermal stability and operational stability. Note that the optimal concentration for SF-MPA-MCz solution is only 30 mg/ml, significantly lower than Spiro-OMeTAD (>70 mg/ml), which could remarkably reduce the cost especially for large-area processing in future commercialization. This work presents a promising avenue for the versatile design of multifunctional HTMs, offering a blueprint for achieving efficient and stable PSCs.

• Research Organization: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)
• Grant/Contract Number: AC02-05CH11231
• OSTI ID: 2426884
• Journal Information: Research, Journal Name: Research Vol. 7; ISSN 2639-5274
• Publisher: AAASCopyright Statement
• Country of Publication: United States
• Language: English