Synthesis, Crystal and Electronic Structure, and Thermal Conductivity Investigation of the Hollandite-like CsxCr5Te8 Phases (0.73 < x < 1) - INSA Rennes - Institut National des Sciences Appliquées de Rennes Access content directly
Journal Articles Inorganic Chemistry Year : 2023

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

Abstract

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.
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Dates and versions

hal-04258615 , version 1 (29-11-2023)

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Hugo Bouteiller, Bruno Fontaine, Takao Mori, Franck Gascoin, Jean-François Halet, et al.. Synthesis, Crystal and Electronic Structure, and Thermal Conductivity Investigation of the Hollandite-like CsxCr5Te8 Phases (0.73 < x < 1). Inorganic Chemistry, 2023, 62 (41), pp.16905-16912. ⟨10.1021/acs.inorgchem.3c02590⟩. ⟨hal-04258615⟩
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