Clusters of Cesium-Lead-Iodide Perovskites in the Zeolite Matrix

Igor Dmitruk, Yelyzaveta Vikhrova, Andriy Dmytruk, Nataliya Berezovska, Yuri Barnakov, Polina Vartik, Rodion V. Belosludov

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Original languageEnglish
Pages (from-to)27711-27715
Number of pages5
JournalACS Omega
Volume6
Issue number42
DOIs
Publication statusPublished - 2021 Oct 26

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

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