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
Rok vydání:	2021
Předmět:	chemistry.chemical_classification Quantum chemical Materials science General Chemical Engineering Iodide chemistry.chemical_element General Chemistry Spectral line Article Matrix (chemical analysis) Chemistry chemistry Caesium Physical chemistry Zeolite Electronic energy Spectroscopy QD1-999
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
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5701de3b5c6956155d019cd76c9bf6a1 https://pubmed.ncbi.nlm.nih.gov/34722971 Zobrazit plný text záznamu