DataVXACS Applied Energy MaterialsPaper
journal article·2020-12-28

Origin of Low Thermal Conductivity in In4Se3

Son D. N. Luu, Andrew R. Supka, Van Huy Nguyen, Dai-Viet N. Vo, Nguyen T. Hung, Krzysztof T. Wojciechowski, Marco Fornari, Paz Vaqueiro

ACS Applied Energy Materials· Volume 3· Issue 12
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Source abstract

Abstract

In4Se3 is an attractive n-type thermoelectric material for midrange waste heat recovery, owing to its low thermal conductivity (∼0.9 W·m– 1·K–1 at 300 K). Here, we explore the relationship between the elastic properties, thermal conductivity, and structure of In4Se3. The experimentally determined average sound velocity (2010 m·s–1), Young’s modulus (47 GPa), and Debye temperature (198 K) of In4Se3 are rather low, indicating considerable lattice softening. This behavior, which is consistent with low thermal conductivity, can be related to the complex bonding found in this material, in which strong covalent In–In and In–Se bonds coexist with weaker electrostatic interactions. Phonon dispersion calculations show that Einstein-like modes occur at ≈30 cm–1. These Einstein-like modes can be ascribed to weakly bonded In+ cations located between strongly bonded [(In3)5+(Se2–)3]− layers. The Grüneisen parameter for the soft-bonded In+ at the frequencies of the Einstein-like modes is large, indicating a high degree of bond anharmonicity and hence increased phonon scattering. The calculated thermal conductivity and elastic properties are in good agreement with experimental results.
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Research context

OpenAlex topics: Advanced Thermoelectric Materials and Devices · Chalcogenide Semiconductor Thin Films · Thermal properties of materials

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Institute of Research and Development, Duy Tan University, Da Nang 550000, Viet Nam

The Lukasiewicz Research Network, The Institute of Advanced Manufacturing Technology, Centre of Thermoelectric Materials Research, 37A Wroclawska, 30-011 Cracow, Poland

Department of Physics and Science of Advanced Materials Program, Central Michigan University, Mount Pleasant, Michigan 48859, United States

Key Laboratory of Advanced Materials for Energy and Environmental Applications, Lac Hong University, Bien Hoa, Dong Nai 810000, Viet Nam

Center of Excellence for Green Energy and Environmental Nanomaterials (CE@GrEEN), Nguyen Tat Thanh University, 300A Nguyen Tat Thanh, District 4, Ho Chi Minh City 755414, Viet Nam

Frontier Research Institute for Interdisciplinary Sciences, Tohoku University, Sendai 980-8578, Japan

Faculty of Materials Science and Ceramics, Thermoelectric Research Laboratory, AGH University of Science and Technology, 30 Mickiewicza, 30-059 Cracow, Poland

Department of Chemistry, University of Reading, Whiteknights Park, Reading RG6 6AD, England, United Kingdom

Funding

Leverhulme Trust · European Commission · Foundation for Polish Science

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