Nanograined Half-Heusler Semiconductors as Advanced Thermoelectrics: An Ab Initio High-Throughput Statistical Study
نویسندگان
چکیده
© 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim 1 wileyonlinelibrary.com respectively. κ , in turn, can typically be split into a sum of vibrational ( κ l ) and electronic ( κ e ) contributions. To design useful thermoelectric materials, the power factor ( P = σS 2 ) must be improved and the thermal conductivity reduced. Nanostructuring approaches may signifi cantly improve ZT . [ 5 ] Still, signifi cant practical roadblocks remain to their production. Low-dimensional nanostructure (e.g., nanowires, thin fi lms) methods can only be used in mesoscopic and macroscopic devices, and only after an assembly process demanding additional engineering and/or packaging. [ 6 ] Embedding nanophases to enhance bulk thermoelectric properties poses challenges due to controlling the size and morphology of precipitates. [ 7 ] A third alternative is the use of ad hoc nanocrystalline bulk materials having nanoscale grains, [ 8,9 ]
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