A 2D/3D Heterostructure Perovskite Solar Cell with a Phase‐Pure and Pristine 2D Layer

Journal Article · Tue Mar 18 00:00:00 UTC 2025 · Advanced Materials

DOI: https://doi.org/10.1002/adma.202416672 · OSTI ID:2531302

Shih, Meng‐Chen ^[1]; Tan, Shaun ^[1]; Lu, Yongli ^[1]; Kodalle, Tim ^[2]; Lee, Do‐Kyoung ^[3]; Dong, Yifan ^[4]; Larson, Bryon W. ^[4]; Park, Soyeon ^[4]; Zhang, Ruiqi ^[5]; Grotevent, Matthias J. ^[1]; Sverko, Tara ^[1]; Zhu, Hua ^[1]; Lin, Yu‐Kuan ^[1]; Sutter‐Fella, Carolin M. ^[6]; Zhu, Kai ^[4]; Beard, Matthew C. ^[4]; Bulović, Vladimir ^[5]; Bawendi, Moungi G.  ^[1]

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1. Department of Chemistry Massachusetts Institute of Technology 77 Massachusetts Avenue Cambridge MA 02139 USA
2. Molecular Foundry Division Lawrence Berkeley National Laboratory 67 Cyclotron Road Berkeley CA 94720 USA, Advanced Light Source Lawrence Berkeley National Laboratory 6 Cyclotron Road Berkeley CA 94720 USA
3. Molecular Foundry Division Lawrence Berkeley National Laboratory 67 Cyclotron Road Berkeley CA 94720 USA, Nevada Extreme Conditions Laboratory University of Nevada Las Vegas NV 89154 USA
4. Chemistry and Nanoscience Center National Renewable Energy Laboratory (NREL) 15013 Denver West Parkway Golden CO 80401 USA
5. Department of Electrical Engineering and Computer Science Massachusetts Institute of Technology (MIT) 77 Massachusetts Avenue Cambridge MA 02139 USA
6. Molecular Foundry Division Lawrence Berkeley National Laboratory 67 Cyclotron Road Berkeley CA 94720 USA

Abstract Interface engineering plays a critical role in advancing the performance of perovskite solar cells. As such, 2D/3D perovskite heterostructures are of particular interest due to their optoelectrical properties and their further potential improvements. However, for conventional solution‐processed 2D perovskites grown on an underlying 3D perovskite, the reaction stoichiometry is normally unbalanced with excess precursors. Moreover, the formed 2D perovskite is impure, leading to unfavorable energy band alignment at the interface. Here a simple method is presented that solves both issues simultaneously. The 2D formation reaction is taken first to completion, fully consuming excess PbI ₂ . Then, isopropanol is utilized to remove excess organic ligands, control the 2D perovskite thickness, and obtain a phase‐pure, n = 2, 2D perovskite. The outcome is a pristine (without residual 2D precursors) and phase‐pure 2D perovskite heterostructure with improved surface passivation and charge carrier extraction compared to the conventional solution process. PSCs incorporating this treatment demonstrate a notable improvement in both stability and power conversion efficiency, with negligible hysteresis, compared to the conventional process.

• Research Organization: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); National Renewable Energy Laboratory (NREL), Golden, CO (United States)
• Sponsoring Organization: USDOE; USDOE Office of Energy Efficiency and Renewable Energy (EERE), Renewable Power Office. Solar Energy Technologies Office; USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)
• Grant/Contract Number: AC02-05CH11231; AC36-08GO28308; EE0009512; EE0010503; SC0021650
• OSTI ID: 2531302
• Report Number(s): NREL/JA--5900-93564; 2416672
• Journal Information: Advanced Materials, Journal Name: Advanced Materials Journal Issue: 17 Vol. 37; ISSN 0935-9648
• Publisher: Wiley Blackwell (John Wiley & Sons)Copyright Statement
• Country of Publication: Germany
• Language: English