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Data-Driven Design of Ecofriendly Thermoelectric High-Entropy Sulfides
Open accessAbstract
Abstract High-entropy compounds with compositional complexity can be designed as new thermoelectric materials. Here a data-driven model was developed, which chose suitable elements to reduce the enthalpy of formation and hence to increase the chance of single phase formation. Using this model, two high-entropy sulfides were designed, metallic Cu5SnMgGeZnS9 and semiconducting Cu3SnMgInZnS7. They were then successfully fabricated as single-phase dense ceramics with homogeneously distributed cations, and their phase stability and atomic local structures were investigated using density functional theory calculations. Finally, a zT value of 0.58 at 773 K was obtained for Cu5Sn1.2MgGeZnS9, where additional Sn was used to tune the carrier concentration. This work provides a simple approach to find new high-entropy functional materials in the largely unexplored multielement chemical space.
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Citations
Cited by
Oses, C., Toher, C., & Curtarolo, S. (2020) · Nature Reviews Materials · doi:10.1038/s41578-019-0170-8 · Cited by 2,081
High‐Entropy Oxides: Fundamental Aspects and Electrochemical Properties
Sarkar, A., Wang, Q., Schiele, A., Chellali, M. R., Bhattacharya, S. S., Wang, D., Brezesinski, T., Hahn, H., Velasco, L., & Breitung, B. (2019) · Advanced Materials · doi:10.1002/adma.201806236 · Cited by 1,234
High-entropy energy materials: challenges and new opportunities
Ma, Y., Ma, Y., Wang, Q., Schweidler, S., Botros, M., Fu, T., Hahn, H., Brezesinski, T., & Breitung, B. (2021) · Energy & Environmental Science · doi:10.1039/d1ee00505g · Cited by 963
Review of high entropy ceramics: design, synthesis, structure and properties
Zhang, R.-Z., & Reece, M. J. (2019) · Journal of Materials Chemistry A · doi:10.1039/c9ta05698j · Cited by 760
Self-citationCation-disordered rocksalt-type high-entropy cathodes for Li-ion batteries
Lun, Z., Ouyang, B., Kwon, D.-H., Ha, Y., Foley, E. E., Huang, T.-Y., Cai, Z., Kim, H., Balasubramanian, M., Sun, Y., et al. (2021) · Nature Materials · doi:10.1038/s41563-020-00816-0 · Cited by 689
Metadata
- Authors
- Zhang, R.-Z., Gucci, F., Zhu, H., Chen, K., & Reece, M. J.
- Venue
- Inorganic Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 2018-09-26
- Volume
- 57
- Issue
- 20
- Pages
- 13027-13033
- ISSN
- 0020-1669 (ISSN-L)
- 1520-510X
- OpenAlex
- W2893657573
- Cited by
- 349
- References
- 0
- FWCI
- 7.95
- Type
- journal article
- Language
- en
- Open access
- hybrid
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- Zhang, R.-Z., Gucci, F., Zhu, H., Chen, K., & Reece, M. J. (2018). Data-Driven Design of Ecofriendly Thermoelectric High-Entropy Sulfides. Inorganic Chemistry. https://doi.org/10.1021/acs.inorgchem.8b02379
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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