Phonon Analysis of 2D Organic‐Halide Perovskites in the Low‐ and Mid‐IR Region

Chen, Yan‐Fang and Mahata, Arup and Lubio, Aura D. and et al, . (2022) Phonon Analysis of 2D Organic‐Halide Perovskites in the Low‐ and Mid‐IR Region. Advanced Optical Materials, 10 (16). pp. 1-12. ISSN 2195-1071

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Combining the characteristics of hybrid perovskites and layered materials, 2D Ruddlesden-Popper perovskites exhibit unique properties, some of which still require to be deeply understood. In this study, the vibrational signatures of such materials are analyzed by collecting experimental Raman spectra of four distinct compounds. Supported by density functional theory simulations, the role of the phenyl spacer single fluorination on the phonon modes of two similar yet different compounds, i.e., phenethylammonium lead iodide (PEAI) and 4-fluorophenethylammonium lead iodide (PEAI-F), is explained. In addition, this work analyzes some so-far unreported experimental Raman peaks in the 600-1100 cm(-1) range and discusses their origin in this class of 2D compounds. This work paves the way for a better design of novel compounds as well as for their exploitation in (opto)electronic applications.

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Additional Information: E.O., A.R., and L.R. were supported by the Natural Sciences and Engineering Research Council of Canada (NSERC) through individual Discovery Grants. A.R. would also like to acknowledge funding from the NSERC Strategic Grant program. E.O. and Y.-F.C. were also supported by the Fonds de Recherche du Quebec - Nature et Technologies (FRQNT). A.L. and L.S. wish to thank the FRQNT for their PhD/MSc scholarship. A.R. is grateful to the FRQNT for funding pieces of this research through an Equipe grant. The authors wish to thank Prof. Cyril Muehlethaler (Universite du Quebec a Trois-Rivieres) for granting access to the micro-Raman facilities at his institution. A.M. and F.D.A. acknowledge support from the European Union's Horizon 2020 research and innovation programme under Grant Agreement No. 764047 of the Espresso project. F. D. A. thanks Ministero Istruzione dell'Universita' e della Ricerca (MIUR) and the University of Perugia through the program "Dipartimenti di Eccellenza 2018-2022" (grant AMIS). L.D.M., A.C., and M.C. gratefully acknowledge Apulia Region, project "Progetto Tecnopolo per la Medicina di precisione", grant number: Deliberazione della Giunta Regionale n. 2117 del 21/11/2018 and Ministry of University and Scientific Research (MIUR), project FISR-C.N.R. "Tecnopolo di nanotecnologia e fotonica per la medicina di precisione", grant number: CUP B83B17000010001 for funding. Open Access Funding provided by Consiglio Nazionale delle Ricerche within the CRUI-CARE Agreement.
Uncontrolled Keywords: 2D perovskites,DFT simulations,phonons,Raman spectroscopy
Subjects: Chemistry
Divisions: Department of Chemistry
Depositing User: . LibTrainee 2021
Date Deposited: 08 Sep 2022 07:19
Last Modified: 08 Sep 2022 07:19
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