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M. M. Rabbi

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Open access Oct 2026

Lead-free quaternary chalcogenide NaZrCuS3 for efficient thermoelectric energy conversion: insights from first-principles and Boltzmann transport

A comprehensive first-principles investigation is performed to evaluate the thermoelectric potential of the lead-free quaternary chalcogenide NaZrCuS3 using density functional theory combined with semiclassical Boltzmann transport formalism. Structural and elastic analyses confirm that NaZrCuS3 crystallizes in a stable...

M. M. Rabbi, Mst. A. Khatun · 0 citations

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