Homogenized Self-Assembled Molecules for Inverted Perovskite Solar Cells
Yu Feng
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
These authors contributed equally to this work.
Search for more papers by this authorYu Wang
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
These authors contributed equally to this work.
Search for more papers by this authorHao Yang
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
These authors contributed equally to this work.
Search for more papers by this authorSaisai Li
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorJiefeng Luo
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorXue Han
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorProf. Thamraa Alshahrani
Department of Physics, College of Science, Princess Nourah Bint Abdulrahman University, Riyadh, 11671 Saudi Arabia
Search for more papers by this authorBo Mai
State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan, 430070 P.R. China
Search for more papers by this authorDi Wang
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorZijin Ding
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorWenda Sun
Tianjin Key Laboratory of Efficient Utilization of Solar Energy, Engineering Research Center of Thin Film Photoelectronic Technology of Ministry of Education, State Key Laboratory of Photovoltaic Materials and Cells, Institute of Photoelectronic Thin Film Devices and Technology, Nankai University, Tianjin, 300350 P.R. China
Search for more papers by this authorChangjiu Sun
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorProf. Quanlin Chen
College of New Energy and Materials, Fujian Provincial Key Laboratory of Featured Materials in Biochemical Industry, Ningde Normal University, Ningde, 352100 P.R. China
Search for more papers by this authorKeyu Wei
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorYanxing Feng
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorLutong Song
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorProf. Xiyan Li
Tianjin Key Laboratory of Efficient Utilization of Solar Energy, Engineering Research Center of Thin Film Photoelectronic Technology of Ministry of Education, State Key Laboratory of Photovoltaic Materials and Cells, Institute of Photoelectronic Thin Film Devices and Technology, Nankai University, Tianjin, 300350 P.R. China
Search for more papers by this authorProf. Xiao-Ye Wang
State Key Laboratory of Elemento-Organic Chemistry, Frontiers Science Center for New Organic Matter, Haihe Laboratory of Sustainable Chemical Transformations, College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorProf. Wen-Di Li
Department of Mechanical Engineering, The University of Hong Kong, Hong Kong, 999077 P.R. China
Search for more papers by this authorProf. Qinyou An
State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan, 430070 P.R. China
Search for more papers by this authorCorresponding Author
Prof. Yuanzhi Jiang
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
E-mail: [email protected]
Search for more papers by this authorProf. Mingjian Yuan
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorYu Feng
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
These authors contributed equally to this work.
Search for more papers by this authorYu Wang
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
These authors contributed equally to this work.
Search for more papers by this authorHao Yang
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
These authors contributed equally to this work.
Search for more papers by this authorSaisai Li
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorJiefeng Luo
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorXue Han
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorProf. Thamraa Alshahrani
Department of Physics, College of Science, Princess Nourah Bint Abdulrahman University, Riyadh, 11671 Saudi Arabia
Search for more papers by this authorBo Mai
State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan, 430070 P.R. China
Search for more papers by this authorDi Wang
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorZijin Ding
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorWenda Sun
Tianjin Key Laboratory of Efficient Utilization of Solar Energy, Engineering Research Center of Thin Film Photoelectronic Technology of Ministry of Education, State Key Laboratory of Photovoltaic Materials and Cells, Institute of Photoelectronic Thin Film Devices and Technology, Nankai University, Tianjin, 300350 P.R. China
Search for more papers by this authorChangjiu Sun
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorProf. Quanlin Chen
College of New Energy and Materials, Fujian Provincial Key Laboratory of Featured Materials in Biochemical Industry, Ningde Normal University, Ningde, 352100 P.R. China
Search for more papers by this authorKeyu Wei
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorYanxing Feng
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorLutong Song
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorProf. Xiyan Li
Tianjin Key Laboratory of Efficient Utilization of Solar Energy, Engineering Research Center of Thin Film Photoelectronic Technology of Ministry of Education, State Key Laboratory of Photovoltaic Materials and Cells, Institute of Photoelectronic Thin Film Devices and Technology, Nankai University, Tianjin, 300350 P.R. China
Search for more papers by this authorProf. Xiao-Ye Wang
State Key Laboratory of Elemento-Organic Chemistry, Frontiers Science Center for New Organic Matter, Haihe Laboratory of Sustainable Chemical Transformations, College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorProf. Wen-Di Li
Department of Mechanical Engineering, The University of Hong Kong, Hong Kong, 999077 P.R. China
Search for more papers by this authorProf. Qinyou An
State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan, 430070 P.R. China
Search for more papers by this authorCorresponding Author
Prof. Yuanzhi Jiang
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
E-mail: [email protected]
Search for more papers by this authorProf. Mingjian Yuan
State Key Laboratory of Advanced Chemical Power Sources, Frontiers Science Center for New Organic Matter, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071 P.R. China
Search for more papers by this authorGraphical Abstract
We report a rigid SAM (PhPAPy), designed to leverage the structural tunability of SAMs for achieving uniform substrate coverage with a single molecule. The high-quality HTL based on PhPAPy effectively minimizes direct perovskite–electrode contact, reduces defect density, and suppresses nonradiative recombination at the buried interface. The champion device achieved a certified reverse-scan PCE of 26.74% while maintaining T95 = 2000 h long-term stability (ISOS-L-2).
Abstract
Inverted perovskite solar cells (PSCs) have rapidly improved, driven by advancements in self-assembled molecules (SAMs). However, achieving homogeneous SAM coverage on substrates remains challenging, directly impacting device performance and stability. Here, we present (4-(pyren-1-yl)phenyl)phosphonic acid (PhPAPy), a SAM with a rigid aromatic ring structure. Ab initio molecular dynamics (AIMD) simulations reveal that this rigidity limits rotational freedom, promoting a near-vertical molecular orientation on the substrate. Additionally, π–π interactions between the planar pyrene rings enhance molecular packing, forming a homogeneous and dense SAM layer. As a result, the uniform PhPAPy effectively minimizes perovskite–substrate direct contact, enhances the interfacial properties, reduces buried interface defects, and improves both efficiency and stability. With PhPAPy SAM, the assembled inverted PSCs achieve a certified reverse-scanning power conversion efficiency (PCE) of 26.74% and a certified stabilized power output (SPO) efficiency of 26.12% (from National Institute of Metrology in China). These devices retain 95% of their initial efficiency after 2000 h of maximum power point tracking (MPPT) under continuous AM 1.5G illumination at 65 °C and ambient humidity (ISOS-L-2).
Conflict of Interests
The authors declare no conflict of interest.
Open Research
Data Availability Statement
The data that support the findings of this study are available from the corresponding author upon reasonable request.
Supporting Information
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Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.
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