Photo-Induced, Reversible Structural changes of CH3NH3PbI3 Perovskites

Yaakov Tischler^a, Shay Tirosh^a, Eynav Haltzi^a, Basanth S Kalanoor^a, Ronen Gottesman^a, Laxman Gouda^a, Arie Zaban^a, Claudio Quarti^b, Filippo De Angelis^b

^aBar Ilan University, Bar Ilan University, Ramat Gan, 52900, Israel

^bComputational Laboratory for Hybrid/Organic Photovoltaics (CLHYO),, Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), CNR-ISTM, Via Elce di Sotto 8, I-06123, Perugia

International Conference on Hybrid and Organic Photovoltaics
Proceedings of International Conference on Hybrid and Organic Photovoltaics 2015 (HOPV15)

Roma, Italy, 2015 May 11th - 13th

Organizer: Filippo De Angelis

Poster, Laxman Gouda, 417
Publication date: 5th February 2015

Photovoltaic solar cells based on methylammonium lead trihalide perovskite absorbers (CH₃NH₃PbX₃, or MAPbX₃where X= Br, Cl, I) have been reported certified efficiencies as high as 20.1%. In spite of the rapid increase in the efficiency associated with device evolution, optimization and full characterization of devices continues to be a major assignment for researchers. Advanced characterization of MAPbX₃ solar cells is already in progress, however structural and photo-physical studies of isolated, stand-alone (i.e. no selective contacts) perovskite thin films under solar cell working conditions are still uncommon.In our recent study, we predicted that under solar cell working conditions the perovskite's structure varies depending on the applied bias and/or the light intensity, seen as long time scale changes in the MAPbI₃'s photoconductivity. Based on DFT calculations, we offered a probable (out of a possible few) new photo-induced structure. Following that work, it was imperative to characterize the perovskite's structure under the same conditions and provide experimental evidence that it is changing. In this study, we used spectroscopy to characterize the MAPbI₃ structure in dark and under illumination. We were able to see reversible structural changes to the MAPbI₃ under illumination, indicating that it has a photo-induced structure. DFT calculations were made to describe the origin of these structural changes, and several possible structures are proposed.

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