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20 décembre 2018

High Power Factors of Thermoelectric Colusites Cu26T2Ge6S32 (T = Cr, Mo, W)- : Toward Functionalization of the Conductive “Cu–S” Network

The introduction of hexavalent T6+ cations in p-type thermoelectric colusites Cu26T2Ge6S32 (T = Cr, Mo, W) leads to the highest power factors among iono-covalent sulfides, ranging from 1.15 mW m-1 K-2 at 700K for W to a value of 1.94 mW m-1 K-2 for Cr. The improvement of the transport properties in these new sulfides is explained on the basis of electronic structure and transport calculations keeping in mind that the relaxation time is significantly influenced by the size and the electronegativity of the interstitial T cation. The rationale is based on the concept of conductive “Cu-S” network, which in colusites corresponds to the more symmetric parent sphalerite structure. (...)
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