The thermal properties of Ba 3 Cu 2 Sn 3 Se 10 were investigated by measurement of the thermal conductivity and heat capacity. The chemical bonding in this diamagnetic material was investigated using structural data from Rietveld refinement and calculated electron localization. This quaternary chalcogenide is monoclinic ( P 2 1 / c ), has a large unit cell with 72 atoms in the primitive cell, and a high local coordination environment. The Debye temperature (162 K) and average speed of sound (1666 m s −1 ) are relatively low with a very small electronic contribution to the heat capacity. Ultralow thermal conductivity (0.46 W m −1 K −1 at room temperature) is attributed to the relatively weak chemical bonding and intrinsic anharmonicity, in addition to a large unit cell. This work is part of the continuing effort to explore quaternary chalcogenides with intrinsically low thermal conductivity and identify the features that result in a low thermal conductivity.
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Negative Thermal Expansion HfV 2 O 7 Nanostructures for Alleviation of Thermal Stress in Nanocomposite Coatings
- Award ID(s):
- 1809866
- NSF-PAR ID:
- 10341619
- Date Published:
- Journal Name:
- ACS Applied Materials & Interfaces
- Volume:
- 13
- Issue:
- 37
- ISSN:
- 1944-8244
- Page Range / eLocation ID:
- 44723 to 44732
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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Abstract Framework oxide materials are well-known for exhibiting not only negative thermal expansion (NTE), but also demonstrating thermal expansion that can be controlled using composition as a tuning parameter. In this work, we study the intrinsic thermal expansion properties of Co2V2O7, which has shown bulk linear NTE, and attempt to understand how substituting Ni2+for Co2+will affect the thermal expansion. The isomorphic solid solution is synthesized through solid-state methods and characterized using x-ray diffraction (XRD), diffuse reflectance spectroscopy, and neutron diffraction. The size difference between Ni2+and Co2+as well as the polyhedral volume of each Co2+metal coordination environment in the crystal structure allows Ni2+to partially be directed toward one crystallographic site over the other. Variable temperature synchrotron XRD data are employed to understand intrinsic thermal expansion. Across the solid solution, no intrinsic NTE is observed at the microscopic level, yet a degree of tunability in the thermal expansion coefficient with Ni substitution is demonstrated. The disparities between the intrinsic and bulk thermal expansion properties suggest that a morphological mechanism may have resulted in NTE in the bulk.
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Temperature‐dependent thermal properties of phase‐pure polycrystalline ternary chalcogenides Cu4Bi4S9and Cu4Bi4Se9are reported. The structure and bonding in these materials result in very low thermal conductivity values (<0.8 W m−1 K−1at room temperature) for both materials. The lattice contribution, Debye temperatures, and Sommerfeld coefficient are obtained from low‐temperature heat capacity data that also indicate very small electronic contributions to the heat capacity for these materials. This study aids in the identification of new nontoxic, earth‐abundant resistive ternary chalcogenide materials with low thermal conductivity for potential thermal barrier coating and rewriteable storage applications.
- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1021/acsami.1c10867
