Synthesis, Crystal and Electronic Structure, and Thermal Conductivity Investigation of the Hollandite-like CsxCr5Te8 Phases (0.73 < x < 1)

International audience ; This article presents a comprehensive study on the synthesis and structural thermal conductivity properties of cesium-inserted chromium tellurides formula CsxCr5Te8. Single crystals three different compositions (x = 0.73, 0.91, 0.97) were successfully synthesized suggested existence solid solution in range 0.73 < x 1. Through detailed single-crystal characterization, complete structure these compounds is determined, revealing distinct B-type hollandite-like form derived from hollandite structure, contrast to more commonly observed A-type pseudo-hollandite AM5X8-type... Mehr ...

Verfasser: Bouteiller, Hugo
Fontaine, Bruno
Mori, Takao
Gascoin, Franck
Halet, Jean-François
Berthebaud, David
Dokumenttyp: Artikel
Erscheinungsdatum: 2023
Verlag/Hrsg.: HAL CCSD
Schlagwörter: Hollandite / Chemistry / Chalcogen / Caesium / Crystal structure / Crystallography / Conductivity / Single crystal / Thermal conductivity / Chromium / [CHIM.INOR]Chemical Sciences/Inorganic chemistry
Sprache: Englisch
Permalink: https://search.fid-benelux.de/Record/base-27113372
Datenquelle: BASE; Originalkatalog
Powered By: BASE
Link(s) : https://hal.science/hal-04258615

International audience ; This article presents a comprehensive study on the synthesis and structural thermal conductivity properties of cesium-inserted chromium tellurides formula CsxCr5Te8. Single crystals three different compositions (x = 0.73, 0.91, 0.97) were successfully synthesized suggested existence solid solution in range 0.73 < x 1. Through detailed single-crystal characterization, complete structure these compounds is determined, revealing distinct B-type hollandite-like form derived from hollandite structure, contrast to more commonly observed A-type pseudo-hollandite AM5X8-type chalcogenides (A cation, M transition metal, X chalcogen). Periodic density functional theory calculations predict Cs0.73Cr5Te8 composition as most stable, with metallic conductive behavior. The bulk CsxCr5Te8 samples measured be 1.4 W m-1 K-1 at 300 K increases temperature up 2 673 K.