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2. An open-access database and analysis tool for perovskite solar cells based on the FAIR data principles

Author

Jacobsson, T. Jesper, Hultqvist, Adam, García-Fernández, Alberto, Anand, Aman, Al-Ashouri, Amran, Hagfeldt, Anders, Crovetto, Andrea, Abate, Antonio, Ricciardulli, Antonio Gaetano, Vijayan, Anuja, Kulkarni, Ashish, Anderson, Assaf Y., Darwich, Barbara Primera, Yang, Bowen, Coles, Brendan L., Perini, Carlo A. R., Rehermann, Carolin, Ramirez, Daniel, Fairen-Jimenez, David, Di Girolamo, Diego, Jia, Donglin, Avila, Elena, Juarez-Perez, Emilio J., Baumann, Fanny, Mathies, Florian, González, G. S. Anaya, Boschloo, Gerrit, Nasti, Giuseppe, Paramasivam, Gopinath, Martínez-Denegri, Guillermo, Näsström, Hampus, Michaels, Hannes, Köbler, Hans, Wu, Hua, Benesperi, Iacopo, Dar, M. Ibrahim, Bayrak Pehlivan, Ilknur, Gould, Isaac E., Vagott, Jacob N., Dagar, Janardan, Kettle, Jeff, Yang, Jie, Li, Jinzhao, Smith, Joel A., Pascual, Jorge, Jerónimo-Rendón, Jose J., Montoya, Juan Felipe, Correa-Baena, Juan-Pablo, Qiu, Junming, Wang, Junxin, Sveinbjörnsson, Kári, Hirselandt, Katrin, Dey, Krishanu, Frohna, Kyle, Mathies, Lena, Castriotta, Luigi A., Aldamasy, Mahmoud. H., Vasquez-Montoya, Manuel, Ruiz-Preciado, Marco A., Flatken, Marion A., Khenkin, Mark V., Grischek, Max, Kedia, Mayank, Saliba, Michael, Anaya, Miguel, Veldhoen, Misha, Arora, Neha, Shargaieva, Oleksandra, Maus, Oliver, Game, Onkar S., Yudilevich, Ori, Fassl, Paul, Zhou, Qisen, Betancur, Rafael, Munir, Rahim, Patidar, Rahul, Stranks, Samuel D., Alam, Shahidul, Kar, Shaoni, Unold, Thomas, Abzieher, Tobias, Edvinsson, Tomas, David, Tudur Wyn, Paetzold, Ulrich W., Zia, Waqas, Fu, Weifei, Zuo, Weiwei, Schröder, Vincent R. F., Tress, Wolfgang, Zhang, Xiaoliang, Chiang, Yu-Hsien, Iqbal, Zafar, Xie, Zhiqiang, and Unger, Eva

Published
2022
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3. Vapor Phase Infiltration Improves Thermal Stability of Organic Layers in Perovskite Solar Cells

Author

Castro-Méndez, Andrés-Felipe, primary, Wooding, Jamie P., additional, Fairach, Selma, additional, Perini, Carlo A. R., additional, McGuinness, Emily K., additional, Vagott, Jacob N., additional, Li, Ruipeng, additional, Kim, Sanggyun, additional, Brahmatewari, Vivek, additional, Dentice, Lucille V., additional, Losego, Mark D., additional, and Correa-Baena, Juan-Pablo, additional

Published
2023
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5. PbI2 Nanocrystal Growth by Atomic Layer Deposition from Pb(tmhd)2 and HI

Author

Vagott, Jacob N., primary, Bairley, Kathryn, additional, Hidalgo, Juanita, additional, Perini, Carlo A. R., additional, Castro-Méndez, Andrés-Felipe, additional, Lombardo, Sarah, additional, Lai, Barry, additional, Zhang, Lihua, additional, Kisslinger, Kim, additional, Kacher, Josh, additional, and Correa-Baena, Juan-Pablo, additional

Published
2022
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6. Identifying high performance and durable methylammonium-free lead halide perovskites through high throughput synthesis and characterization

Author

Yu An, Carlo Andrea Riccardo Perini, Juanita Hidalgo, Andrés-Felipe Castro-Méndez, Vagott Jacob N., Ruipeng Li, Wissam A. Saidi, Shirong Wang, Xianggao Li, and Juan-Pablo Correa-Baena

Abstract

One of the organic component in the perovskite photo-absorber, the methylammonium cation, has been suggested to be a roadblock to long-term operation of organic-inorganic hybrid perovskite-based solar cells. Methylammonium-free perovskites thus represent a possible direction for more stable photo-absorbers that are also compatible with multijunction solar cells. However, most work on methylammonium-free perovskites involves cesium and formamidinium as the A-site cations, which are thermodynamically less stable than the methylammonium-based materials. In this work we systematically explore the crystallographic and optical properties of the compositional space of mixed cation and mixed halide lead perovskites, where formamidinium (FA+) is gradually replaced by cesium (Cs+), and iodide (I-) is substituted by bromide (Br-), i.e., CsyFA1–yPb(BrxI1–x)3. The crystal phases, which could be tuned by changing the tolerance factor for mixed perovskite alloys, are qualitatively determined and the composition–structure relationship is established in the CsyFA1–yPb(BrxI1–x)3 compositional space. We find that higher tolerance factors lead to more cubic structures, whereas lower tolerance factors lead to more orthorhombic. We also find that while some correlation exists between tolerance factor and structure, tolerance factor does not provide a holistic understanding of whether a perovskite structure will fully form. Given the wide range of bandgaps produced by this compositional space, an empirical expression is devised to predict the optical bandgap of CsyFA1–yPb(BrxI1–x)3 perovskites – which changes as a function of composition –, conducive to the design of absorbers with bandgaps tailor-made for specific tandem and single-junction applications. By screening 26 solar cells with different compositions, we find that Cs1/6FA5/6PbI3 delivers the highest efficiency and long-term stability among I-rich compositions. This work sheds light on the fundamental structure-property relationships in the CsyFA1–yPb(BrxI1–x)3 compositional space, providing vital insight to the design of durable perovskite materials. Our approach provides a library of structural and optoelectronic information of this compositional space.

Published
2021
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7. An open-access database and analysis tool for perovskite solar cells based on the FAIR data principles

Author

Jacobsson, T. Jesper, primary, Hultqvist, Adam, additional, García-Fernández, Alberto, additional, Anand, Aman, additional, Al-Ashouri, Amran, additional, Hagfeldt, Anders, additional, Crovetto, Andrea, additional, Abate, Antonio, additional, Ricciardulli, Antonio Gaetano, additional, Vijayan, Anuja, additional, Kulkarni, Ashish, additional, Anderson, Assaf Y., additional, Darwich, Barbara Primera, additional, Yang, Bowen, additional, Coles, Brendan L., additional, Perini, Carlo A. R., additional, Rehermann, Carolin, additional, Ramirez, Daniel, additional, Fairen-Jimenez, David, additional, Di Girolamo, Diego, additional, Jia, Donglin, additional, Avila, Elena, additional, Juarez-Perez, Emilio J., additional, Baumann, Fanny, additional, Mathies, Florian, additional, González, G. S. Anaya, additional, Boschloo, Gerrit, additional, Nasti, Giuseppe, additional, Paramasivam, Gopinath, additional, Martínez-Denegri, Guillermo, additional, Näsström, Hampus, additional, Michaels, Hannes, additional, Köbler, Hans, additional, Wu, Hua, additional, Benesperi, Iacopo, additional, Dar, M. Ibrahim, additional, Bayrak Pehlivan, Ilknur, additional, Gould, Isaac E., additional, Vagott, Jacob N., additional, Dagar, Janardan, additional, Kettle, Jeff, additional, Yang, Jie, additional, Li, Jinzhao, additional, Smith, Joel A., additional, Pascual, Jorge, additional, Jerónimo-Rendón, Jose J., additional, Montoya, Juan Felipe, additional, Correa-Baena, Juan-Pablo, additional, Qiu, Junming, additional, Wang, Junxin, additional, Sveinbjörnsson, Kári, additional, Hirselandt, Katrin, additional, Dey, Krishanu, additional, Frohna, Kyle, additional, Mathies, Lena, additional, Castriotta, Luigi A., additional, Aldamasy, Mahmoud. H., additional, Vasquez-Montoya, Manuel, additional, Ruiz-Preciado, Marco A., additional, Flatken, Marion A., additional, Khenkin, Mark V., additional, Grischek, Max, additional, Kedia, Mayank, additional, Saliba, Michael, additional, Anaya, Miguel, additional, Veldhoen, Misha, additional, Arora, Neha, additional, Shargaieva, Oleksandra, additional, Maus, Oliver, additional, Game, Onkar S., additional, Yudilevich, Ori, additional, Fassl, Paul, additional, Zhou, Qisen, additional, Betancur, Rafael, additional, Munir, Rahim, additional, Patidar, Rahul, additional, Stranks, Samuel D., additional, Alam, Shahidul, additional, Kar, Shaoni, additional, Unold, Thomas, additional, Abzieher, Tobias, additional, Edvinsson, Tomas, additional, David, Tudur Wyn, additional, Paetzold, Ulrich W., additional, Zia, Waqas, additional, Fu, Weifei, additional, Zuo, Weiwei, additional, Schröder, Vincent R. F., additional, Tress, Wolfgang, additional, Zhang, Xiaoliang, additional, Chiang, Yu-Hsien, additional, Iqbal, Zafar, additional, Xie, Zhiqiang, additional, and Unger, Eva, additional

Published
2021
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12. Identifying high-performance and durable methylammonium-free lead halide perovskites via high-throughput synthesis and characterization

Author

An, Yu, primary, Perini, Carlo Andrea Riccardo, additional, Hidalgo, Juanita, additional, Castro-Méndez, Andrés-Felipe, additional, Vagott, Jacob N., additional, Li, Ruipeng, additional, Saidi, Wissam A., additional, Wang, Shirong, additional, Li, Xianggao, additional, and Correa-Baena, Juan-Pablo, additional

Published
2021
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14. PbI2Nanocrystal Growth by Atomic Layer Deposition from Pb(tmhd)2and HI

Author

Vagott, Jacob N., Bairley, Kathryn, Hidalgo, Juanita, Perini, Carlo A. R., Castro-Méndez, Andrés-Felipe, Lombardo, Sarah, Lai, Barry, Zhang, Lihua, Kisslinger, Kim, Kacher, Josh, and Correa-Baena, Juan-Pablo

Abstract

Atomic layer deposition (ALD) allows for fine control over the thickness, stoichiometry, and structural defects of materials. ALD provides a suitable route to deposit lead halides, which can further be converted to perovskites for photovoltaics, photoemission, and photodetection, among other applications. Deposition of lead halides by ALD has already begun to be explored; however, the precursors used in published processes are highly hazardous, require expensive fabrication processes, or contain impurities that can jeopardize the optoelectronic properties of metal halide perovskites after conversion. In this work, we deposited lead iodide (PbI2) by a facile ALD process involving only two readily accessible and low-cost precursors. PbI2nanocrystals were grown on soda-lime glass (SLG), silicon dioxide support grids, and silicon wafer substrates and provided the groundwork for further investigation into developing lead halide perovskite processes by ALD. The ALD-grown PbI2was characterized by annular dark-field scanning transmission electron microscopy (ADF-STEM), atomic force microscopy (AFM), high resolution transmission electron microscopy (HRTEM), X-ray fluorescence (XRF), and X-ray photoemission spectroscopy (XPS), among other methods. This work presents the first step to synthesize lead halide perovskites with atomic control for applications such as interfacial layers in photovoltaics and for deposition in microcavities for lasing.

Published
2022
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15. Formation of a Secondary Phase in Thermally Evaporated MAPbI3and Its Effects on Solar Cell Performance

Author

Castro-Méndez, Andrés-Felipe, Perini, Carlo A. R., Hidalgo, Juanita, Ranke, Daniel, Vagott, Jacob N., An, Yu, Lai, Barry, Luo, Yanqi, Li, Ruipeng, and Correa-Baena, Juan-Pablo

Abstract

Thermal evaporation is a promising deposition technique to scale up perovskite solar cells (PSCs) to large areas, but the lack of understanding of the mechanisms that lead to high-quality evaporated methylammonium lead triiodide (MAPbI3) films gives rise to devices with efficiencies lower than those obtained by spin coating. This work investigates the crystalline properties of MAPbI3deposited by the thermal coevaporation of PbI2and MAI, where the MAI evaporation rate is controlled by setting different temperatures for the MAI source and the PbI2deposition rate is controlled with a quartz crystal microbalance (QCM). Using grazing incident wide-angle X-ray scattering (GIWAXS) and X-ray diffraction (XRD), we identify the formation of a secondary orthorhombic phase (with a Pnmaspace group) that appears at MAI source temperatures below 155 °C. With synchrotron-based X-ray fluorescence (XRF) microscopy, we show that the changes in crystalline phases are not necessarily due to changes in stoichiometry. The films show a stochiometric composition when the MAI source is heated between 140 to 155 °C, and the samples become slightly MAI rich at 165 °C. Increasing the MAI temperature beyond 165 °C introduces an excess of MAI in the film, which promotes the formation of films with low crystallinity that contain low-dimensional perovskites. When they are incorporated in solar cells, the films deposited at 165 °C result in the champion power conversion efficiency, although the presence of a small amount of low-dimensional perovskite may lead to a lower open-circuit voltage. We hypothesize that the formation of secondary phases in evaporated films limits the performance of PSCs and that their formation can be suppressed by controlling the MAI source temperature, bringing the film toward a phase-pure tetragonal structure. Control of the phases during perovskite evaporation is therefore crucial to obtain high-performance solar cells.

Published
2022
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16. Formation of a Secondary Phase in Thermally Evaporated MAPbI 3 and Its Effects on Solar Cell Performance.

Author

Castro-Méndez AF, Perini CAR, Hidalgo J, Ranke D, Vagott JN, An Y, Lai B, Luo Y, Li R, and Correa-Baena JP

Abstract

Thermal evaporation is a promising deposition technique to scale up perovskite solar cells (PSCs) to large areas, but the lack of understanding of the mechanisms that lead to high-quality evaporated methylammonium lead triiodide (MAPbI 3 ) films gives rise to devices with efficiencies lower than those obtained by spin coating. This work investigates the crystalline properties of MAPbI 3 deposited by the thermal coevaporation of PbI 2 and MAI, where the MAI evaporation rate is controlled by setting different temperatures for the MAI source and the PbI 2 deposition rate is controlled with a quartz crystal microbalance (QCM). Using grazing incident wide-angle X-ray scattering (GIWAXS) and X-ray diffraction (XRD), we identify the formation of a secondary orthorhombic phase (with a Pnma space group) that appears at MAI source temperatures below 155 °C. With synchrotron-based X-ray fluorescence (XRF) microscopy, we show that the changes in crystalline phases are not necessarily due to changes in stoichiometry. The films show a stochiometric composition when the MAI source is heated between 140 to 155 °C, and the samples become slightly MAI rich at 165 °C. Increasing the MAI temperature beyond 165 °C introduces an excess of MAI in the film, which promotes the formation of films with low crystallinity that contain low-dimensional perovskites. When they are incorporated in solar cells, the films deposited at 165 °C result in the champion power conversion efficiency, although the presence of a small amount of low-dimensional perovskite may lead to a lower open-circuit voltage. We hypothesize that the formation of secondary phases in evaporated films limits the performance of PSCs and that their formation can be suppressed by controlling the MAI source temperature, bringing the film toward a phase-pure tetragonal structure. Control of the phases during perovskite evaporation is therefore crucial to obtain high-performance solar cells.

Published
2022
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