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Evidence of Nitrogen Contribution to the Electronic Structure of the CH₃NH₃PbI₃ Perovskite

  • Despite fast development of hybrid perovskite solar cells, there are many fundamental questions related to the perovskite film which remain open. For example, there are contradicting theoretical reports on the role of the or-ganic methylammonium cation (CH₃NH₃+)in the methylam-monium lead triiodide (CH₃NH₃PbI₃)perovskite film. From one side it is reported that the organic cation does not contribute to electronic structure of the CH₃NH₃PbI₃ film. From the other side, valence band maximum fluctuations, dependent on the CH₃NH₃+ rotation, have been theoretically predicted. The resonant X-ray photoelectron spectroscopy results reported here show experimental evidence of nitrogen contribution to the CH₃NH₃PbI₃ electronic structure. Moreover,the observed strong resonances of nitrogen with the I 5s and the Pb 5d-6s levels indicate that the CH₃NH₃PbI₃ valence band is extended up to ~18 eV below the Fermi energy, and therefore one should also consider these shallow core levels while modeling its electronic structure.

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Metadaten
Author: Małgorzata KotORCiD, Konrad Wojciechowski, Henry J. Snaith, Dieter SchmeißerORCiD
DOI:https://doi.org/10.1002/chem.201705144
ISSN:0947-6539
ISSN:1521-3765
Title of the source (English):Chemistry - A European Journal
Document Type:Scientific journal article peer-reviewed
Language:English
Year of publication:2018
Tag:electronic structure; methylammonium lead triiodide (CH₃NH₃PbI₃); perovskite solar cells; resonant X-ray photoelectron spectroscopy (resPES)
Volume/Year:24
Issue number:14
First Page:3539
Last Page:3544
Faculty/Chair:Fakultät 1 MINT - Mathematik, Informatik, Physik, Elektro- und Informationstechnik / FG Angewandte Physik und Halbleiterspektroskopie
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