Clusters of Cesium-Lead-Iodide Perovskites in the Zeolite Matrix
Autor: | Rodion V. Belosludov, Polina Vartik, Andriy Dmytruk, N. I. Berezovska, Yelyzaveta Vikhrova, Yuri Barnakov, Igor Dmitruk |
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Rok vydání: | 2021 |
Předmět: | |
Zdroj: | ACS Omega ACS Omega, Vol 6, Iss 42, Pp 27711-27715 (2021) |
ISSN: | 2470-1343 |
Popis: | Small clusters of cesium-lead-iodide perovskites (CLIPs) have been prepared in the Na-X zeolite matrix and studied by means of spectroscopy and quantum chemical modeling. Regularity of pores in single crystals of zeolite assures the formation of clusters of a certain size. By the first-principles quantum chemical calculations, we have determined that clusters Cs4PbI6, Cs5Pb2I9, and probably Cs7Pb5I16 with a size of 0.74, 1.29, and 1.36 nm, respectively, have elevated stability compared to other species, and they fit into the pores of Na-X zeolite. Electronic energy spectra of these clusters have been calculated and compared with experimentally measured ones. |
Databáze: | OpenAIRE |
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