Simultaneous optimization of power factor and thermal conductivity via Te and Se double substitution in Cu₁₂Sb₄S₁₃ tetrahedrite

Autor(en)

Umasankar Rout, Sahil Tippireddy, Katharina Werbach, Padaikathan Pambannan, Gerda Rogl, Peter Rogl, Ramesh Chandra Mallik

Abstrakt

The present study reports the structural, electronic, elastic, and thermoelectric properties of Cu12Sb3.9Te0.1S13-xSex (x = 0, 0.1, 0.5, 0.75 and 1) tetrahedrite. The thermal conductivity was reduced due to charge carrier compensation (by Te), weakening of the Sb-S bond and local chemical disorder (induced by Se), resulting in a low mean sound velocity. Simultaneously, the power-factor was maintained high from an enhancement of the density of states near the Fermi level due to Se. Consequently, a maximum figure of merit similar to 0.84 at 673 K was achieved for the Cu12Sb3.9Te0.1S12.5Se0.5 sample due to concomitant optimisation of the power-factor and thermal conductivity.

Organisation(en)

Dynamik Kondensierter Systeme, Institut für Materialchemie

Externe Organisation(en)

Indian Institute of Science

Journal

Scripta Materialia

Band

188

Seiten

151-156

Anzahl der Seiten

6

ISSN

1359-6462

DOI

https://doi.org/10.1016/j.scriptamat.2020.07.036

Publikationsdatum

11-2020

Peer-reviewed

Ja

ÖFOS 2012

104017 Physikalische Chemie, 103018 Materialphysik

Schlagwörter

ASJC Scopus Sachgebiete

Condensed Matter Physics, Mechanics of Materials, Mechanical Engineering, Metals and Alloys, Allgemeine Materialwissenschaften

Link zum Portal

https://ucrisportal.univie.ac.at/de/publications/43ba45fe-bd4d-4739-b38d-32fb32cc97b5