Cu Insertion Into the Mo<sub>12</sub> Cluster Compound Cs<sub>2</sub>Mo<sub>12</sub>Se<sub>14</sub>: Synthesis, Crystal and Electronic Structures, and Physical Properties - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Inorganic Chemistry Année : 2016

Cu Insertion Into the Mo12 Cluster Compound Cs2Mo12Se14: Synthesis, Crystal and Electronic Structures, and Physical Properties

Résumé

Mo-based cluster compounds are promising materials for high-temperature thermoelectric applications due to their intrinsic, extremely low thermal conductivity values. In this study, polycrystalline cluster compounds Cs2CuxMo12Se14 were prepared for a wide range of Cu contents (0 <= x <= 2). All samples crystallize isostructurally in the trigonal space group R3. The position of the Cu atoms in the unit cell was determined by X-ray diffraction on a single-crystalline specimen indicating that these atoms fill the empty space between the Mo-Se clusters. Density functional theory calculations predict a metallic ground state for all compositions, in good agreement with the experimental findings. Magnetization measurements indicate a rapid suppression of the superconducting state that develops in the x = 0.0 sample upon Cu insertion. Transport properties measurements, performed in a wide temperature range (2-630 K) on the two end-member compounds x = 0 and x = 2, revealed a multiband electrical conduction as shown by sign reversal of the thermopower as a function of temperature.
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Dates et versions

hal-01344318 , version 1 (22-02-2023)

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Rabih Al Rahal Al Orabi, Bruno Fontaine, Regis Gautier, Patrick Gougeon, Philippe Gall, et al.. Cu Insertion Into the Mo12 Cluster Compound Cs2Mo12Se14: Synthesis, Crystal and Electronic Structures, and Physical Properties. Inorganic Chemistry, 2016, 55 (13), pp.6616-6624. ⟨10.1021/acs.inorgchem.6b00781⟩. ⟨hal-01344318⟩
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