Crystal domain size control in organometal halide perovskite materials and its effect on ion and defect migration as well as its optoelectronic properties for photovoltaic application

• Applicant: Professorin Dr. Anna Köhler, since 3/2019
• Subject Area: Experimental Condensed Matter Physics ; Physical Chemistry of Solids and Surfaces, Material Characterisation
• Term: from 2018 to 2022
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 395191217

• Final Report Year: 2023

Final Report Abstract

Lead halide perovskites such as methylammonium lead iodide (MaPbI3) are currently being intensively investigated as semiconductor materials, motivated among other things by the rapid development of the efficiency of perovskite-based solar cells from only 3% in 2012 to more than 25% today. Despite the impressive development, there are still several unresolved fundamental issues. The central objective of the project was to find out how the size of crystalline domains in lead halide perovskites can be modified, and how this affects the diffusion of ions and defects, and ultimately the efficiency of lead halide perovskite devices such as solar cells. During the project, we found out how to modify the crystallite size for both solutionprocessed and dry-processed films. By taking absorption and luminescence spectra, and initially also X-ray structure measurements while the perovksite film was forming (in-situ), we were able to draw conclusions about the mechanisms and rates for the formation of the perovksite crystals. This knowledge was used to reduce the density of defects in perovksite films and thus achieve better solar cells.

Publications

• High Versatility and Stability of Mechanochemically Synthesized Halide Perovskite Powders for Optoelectronic Devices. ACS Applied Materials & Interfaces, 11(33), 30259-30268.
  Leupold, Nico; Schötz, Konstantin; Cacovich, Stefania; Bauer, Irene; Schultz, Maximilian; Daubinger, Monika; Kaiser, Leah; Rebai, Amelle; Rousset, Jean; Köhler, Anna; Schulz, Philip; Moos, Ralf & Panzer, Fabian
  
• In situ investigation of light soaking in organolead halide perovskite films. APL Materials, 7(4).
  Zhong, Yu; Luna, Carlos Andres Melo; Hildner, Richard; Li, Cheng & Huettner, Sven
  
• Double peak emission in lead halide perovskites by self-absorption. Journal of Materials Chemistry C, 8(7), 2289-2300.
  Schötz, Konstantin; Askar, Abdelrahman M.; Peng, Wei; Seeberger, Dominik; Gujar, Tanaji P.; Thelakkat, Mukundan; Köhler, Anna; Huettner, Sven; Bakr, Osman M.; Shankar, Karthik & Panzer, Fabian
  
• Investigating the Tetragonal‐to‐Orthorhombic Phase Transition of Methylammonium Lead Iodide Single Crystals by Detailed Photoluminescence Analysis. Advanced Optical Materials, 8(17).
  Schötz, Konstantin; Askar, Abdelrahman M.; Köhler, Anna; Shankar, Karthik & Panzer, Fabian
  
• Investigating two-step MAPbI3thin film formation during spin coating by simultaneousin situabsorption and photoluminescence spectroscopy. Journal of Materials Chemistry A, 8(10), 5086-5094.
  Chauhan, Mihirsinh; Zhong, Yu; Schötz, Konstantin; Tripathi, Brijesh; Köhler, Anna; Huettner, Sven & Panzer, Fabian
  
• Role of PCBM in the Suppression of Hysteresis in Perovskite Solar Cells. Advanced Functional Materials, 30(23).
  Zhong, Yu; Hufnagel, Martin; Thelakkat, Mukundan; Li, Cheng & Huettner, Sven
  
• How antisolvent miscibility affects perovskite film wrinkling and photovoltaic properties. Nature Communications, 12(1).
  Kim, Seul-Gi; Kim, Jeong-Hyeon; Ramming, Philipp; Zhong, Yu; Schötz, Konstantin; Kwon, Seok Joon; Huettner, Sven; Panzer, Fabian & Park, Nam-Gyu
  
• Suppressed ion migration in powder-based perovskite thick films using an ionic liquid. Journal of Materials Chemistry C, 9(35), 11827-11837.
  Ramming, Philipp; Leupold, Nico; Schötz, Konstantin; Köhler, Anna; Moos, Ralf; Grüninger, Helen & Panzer, Fabian
  
• The Impact of Solvent Vapor on the Film Morphology and Crystallization Kinetics of Lead Halide Perovskites during Annealing. ACS Applied Materials & Interfaces, 13(38), 45365-45374.
  Zhong, Yu; Seeberger, Dominik; Herzig, Eva M.; Köhler, Anna; Panzer, Fabian; Li, Cheng & Huettner, Sven
  
• Understanding Differences in the Crystallization Kinetics between One‐Step Slot‐Die Coating and Spin Coating of MAPbI3 Using Multimodal In Situ Optical Spectroscopy. Advanced Optical Materials, 9(21).
  Schötz, Konstantin; Greve, Christopher; Langen, Arjan; Gorter, Harrie; Dogan, Ilker; Galagan, Yulia; van Breemen Albert, J. J. M.; Gelinck, Gerwin H.; Herzig, Eva M. & Panzer, Fabian
  
• Using In Situ Optical Spectroscopy to Elucidate Film Formation of Metal Halide Perovskites. The Journal of Physical Chemistry A, 125(11), 2209-2225.
  Schötz, Konstantin & Panzer, Fabian
  
• How the ionic liquid BMIMBF4 influences the formation and optoelectronic properties of MAPbI3 thin films. Journal of Materials Chemistry A, 10(35), 18038-18049.
  Biberger, Simon; Schötz, Konstantin; Ramming, Philipp; Leupold, Nico; Moos, Ralf; Köhler, Anna; Grüninger, Helen & Panzer, Fabian
  
• How the Microstructure of MAPbI3 Powder Impacts Pressure-Induced Compaction and Optoelectronic Thick-Film Properties. The Journal of Physical Chemistry C, 126(36), 15424-15435.
  Witt, Christina; Leupold, Nico; Ramming, Philipp; Schötz, Konstantin; Moos, Ralf & Panzer, Fabian
  
• How Methylammonium Iodide Reactant Size Affects Morphology and Defect Properties of Mechanochemically Synthesized MAPbI3 Powder. European Journal of Inorganic Chemistry, 26(8).
  Leupold, Nico; Ramming, Philipp; Bauer, Irene; Witt, Christina; Jungklaus, Jennifer; Moos, Ralf; Grüninger, Helen & Panzer, Fabian