Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Hybrid copper halide material with perovskite like structure with tetrahedral units; synthesis, characterization and optical properties
Δημιουργός/Συγγραφέας:	Ioannou, Anna Anyfantis, George C. Milonakou-Koufoudaki, Karmen Danezis, George Georgiou, Constatinos A. Psycharis, Vassilis Raptopoulou, Catherine P. Kollia, Constantina Kelaidis, Nikolaos [EL] Λαθιωτάκης, Νεκτάριος N.[EN] Lathiotakis, Nektarios N. [EL] Μούσδης, Γεώργιος Α.[EN] Mousdis, George A.
Εκδότης:	Elsevier
Ημερομηνία:	2023
Γλώσσα:	Αγγλικά
ISSN:	02775387
DOI:	10.1016/j.poly.2022.116247
Περίληψη:	Many attempts have been made to substitute lead as the metal cation in perovskite materials but, at the same time, retain its favorable optical and electrical properties. Copper is a naturally abundant metal as well as more environmentally friendly than Pb, thus, can be used as the metal cation in regards to possible substitution candidate perovskites. Herein we report the synthesis and optoelectronic properties of two novel compounds with perovskite-like structure and Cu as the central cation. The analysis includes Powder XRD data and a Density Functional Theory (DFT) study for a thorough understanding of their structure. By Inductively Coupled Plasma Mass Spectrometry (ICP-MS), Vibronic studies (FTIR, Raman), Nuclear Magnetic Resonance (NMR) and Mass spectra we fully explain the chemical analysis of the final material. Complete analysis of their optoelectronic properties is explained and presented with UV–vis measurements. Furthermore, we correlate their properties with their structure with Raman spectroscopy but also via computational theoretical DFT studies.
Τίτλος πηγής δημοσίευσης:	Polyhedron
Τόμος/Κεφάλαιο:	231
Θεματική Κατηγορία:	[EL] Χημεία[EN] Chemistry [EL] Φυσική και θεωρητική χημεία[EN] Physical and theoretical chemistry [EL] Φασματοσκοπία[EN] Spectroscopy
Λέξεις-Κλειδιά:	Perovksites Substitution of lead Lead-free perovskites Copper perovskites DFT calculations
EU Grant:	HYDROSOL Competitiveness, Entrepreneurship and Innovation (NSRF 2014-2020)
EU Grant identifier:	MIS Τ3ΕΡΑ-00029
Ηλεκτρονική διεύθυνση στον εκδότη (link):	https://doi.org/10.1016/j.poly.2022.116247
Εμφανίζεται στις συλλογές:	Ινστιτούτο Θεωρητικής και Φυσικής Χημείας (ΙΘΦΧ) - Επιστημονικό έργο