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Meeting 2017 TMS Annual Meeting & Exhibition
Symposium Energy Technologies
Presentation Title {Ti,Zr}NiSn - based High ZT Spinodal Thermoelectrics
Author(s) Peter Franz Rogl, Andrij Grytsiv, Matthias Gürth, Philip Sauerschnig, Jan Vrestal, Vitalij Romaka, Gerda Rogl, Kunio Yubuta, Ernst Bauer
On-Site Speaker (Planned) Peter Franz Rogl
Abstract Scope Hitherto non-centrosymmetric multi-component half-Heusler phases have proven to be excellent thermoelectrics. Large-scale production and particularly nanostructuring of TiNiSn-based thermoelectric materials by preferably system-inherent phases need a profound knowledge not only of isothermal phase relations, temperature dependent solubilities but also of the solidification behavior. The present paper covers a detailed experimental investigation (backed by SEM/TEM analyses, DFT) of the constitution of the {Ti,Zr}-Ni-Sn systems including a liquidus projection and a Scheil diagram, as well as a CALPHAD calculation. For the binary systems TiNiSn-ZrNiSn and TiNiSn-HfNiSn, thermodynamic spinodal/binodal curves as well as coherent spinodal demixing have been determined from solubility data and DFT calculations. Among Ti1-x-yZrxHfyNiSn1-zSbz compounds the thermoelectric behavior reached ZT ~ 1.2 at 850 K for Hf-free n-type Ti0.5Zr0.5NiSn0.98Sb0.02 yielding an thermoelectric efficiency  ~ 11%. These excellent TE data prove that Hf-free and therefore cheap half-Heusler alloys can be promising materials for a large scale production route.
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{Ti,Zr}NiSn - based High ZT Spinodal Thermoelectrics

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