文献类型：期刊文献

英文题名：Hydrogen Bonding Enhanced Molecular Assembly of Hole-Selective Contact for Thermally Stable Perovskite Solar Cells

作者：Zhan, Liqing[1,2];Chen, Xiaofeng[3];Liu, Jiayi[1,2];Tang, Haorui[1,2];Zhao, Yun[1,2];Li, Yirong[1,2];Wang, Songran[1,2];Zhang, Shuo[1,2];Zheng, Weizhong[3];Zhu, Wei-Hong[1,2,5];Chen, Hao[4];Wu, Yongzhen[1,2,5]

机构：[1]East China Univ Sci & Technol, Inst Fine Chem,Sch Chem & Mol Engn, Frontiers Sci Ctr Materiobiol & Dynam Chem, Key Lab Adv Mat,Shanghai Key Lab Funct Mat Chem, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Inst Fine Chem,Sch Chem & Mol Engn, Shanghai Key Lab Funct Mat Chem,Frontiers Sci Ctr, Joint Int Res Lab Precis Chem & Mol Engn, Shanghai 200237, Peoples R China;[3]East China Univ Sci & Technol, Sch Chem Engn, Shanghai 200237, Peoples R China;[4]Shanghai Jiao Tong Univ, Global Inst Future Technol, Future Photovolta Res Ctr, Shanghai 200240, Peoples R China;[5]East China Univ Sci & Technol, Ctr Photosensit Chem Engn, Shanghai 200237, Peoples R China

年份：2026

卷号：148

期号：15

起止页码：16278

外文期刊名：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

收录：;EI(收录号：20261720579662);WOS:【SCI-EXPANDED(收录号:WOS:001738081000001)】；

基金：The work was supported by the Basic Science Center of the National Natural Science Foundation (T2488302), the National Natural Science Foundation of China (22425502, 22179037, W2412114), the Science and Technology Commission of Shanghai Municipality (24DX1400200, 24DZ3001000), the Shanghai Pilot Program for Basic Research (22TQ1400100-1), the Program of Introducing Talents of Discipline to Universities (B16017), and the Fundamental Research Funds for the Central Universities. H.C. acknowledged the Start-up Fund from Shanghai Jiao Tong University and the Shanghai Magnolia Tatent Plan-Pujiang Project (Grant No. 24PJA041). We thank the Research Center of Analysis and Test of East China University of Science and Technology (ECUST) for their help with the characterization, Mrs. Mengjing Li from Shiyanjia Lab (www.shiyanjia.com) for the XPS measurements, and the staff from the BL17B1 beamline of the National Facility for Protein Science in Shanghai at the Shanghai Synchrotron Radiation Facility for their assistance during data collection.

语种：英文

外文关键词：Bonding - Complexation - Hydrogen - Hydrogen bonds - Perovskite - Perovskite solar cells - Self assembled monolayers - Substrates

摘要：The formation of closely packed and highly ordered self-assembled monolayers (SAMs)-based hole-selective contacts is of paramount importance for achieving durable perovskite solar cells (PSCs). However, conventional molecular design strategies, often centered on extending pi-conjugated cores to strengthen pi-pi stacking, typically encounter a trade-off: excessive pi-pi interactions can induce molecular aggregation and interfacial instability, thus degrading device stability. In this work, we introduce a hydrogen-bond-enhanced assembly strategy to address this challenge. This concept is realized through two novel dual-anchoring carbazole-based molecules, MeO-CzPACA and MeO-CzPA2, which incorporate an additional anchor onto the ortho-position of the primary phosphonic acid based anchor. The dual-anchor features an intramolecular six-membered hydrogen-bonding motif that stabilizes the deprotonated form in the processing solution, thereby enhancing Br & oslash;nsted acidity for efficient condensation with hydroxyl-rich metal oxide substrates. Upon assembly on ITO with the primary anchor, the additional anchor groups engage in intermolecular hydrogen bonds that significantly promote intermolecular interactions. Based on this molecular design strategy, the corresponding single-junction and all-perovskite tandem devices achieved champion power conversion efficiencies of 26.9% and 29.6%, respectively. Moreover, the cooperation of intra- and intermolecular hydrogen-bonding interactions results in SAMs with robust structural integrity even at elevated temperatures. This work establishes hydrogen bonding as a powerful stabilization mechanism that complements chemisorption on ITO, offering a promising strategy for developing long-term stable PSCs.