Antibonding Cu (d)–Te (p) states and bonding inhomogeneity in inducing low lattice thermal conductivity and extraordinary thermoelectric properties of the layered heteroanionic NdCuOTe material: a first-principles study
Layered NdCuOTe material exhibits excellent thermoelectric properties on account of the bonding inhomogeneity, antibonding state, and band degeneracy.
Authors
- Shu‐Lin Bai (ORCID: https://orcid.org/0000-0001-9177-7525)
- Hao Wang (ORCID: https://orcid.org/0000-0001-8869-9669)
- Qingshun Quinn Li (ORCID: https://orcid.org/0000-0003-4105-1480)
- Da Wan (ORCID: https://orcid.org/0000-0001-6142-1755)
- Shuwei Tang (ORCID: https://orcid.org/0000-0002-3963-8031)
- Tuo Zheng
- Xiaodong Li (ORCID: https://orcid.org/0000-0002-6601-5788)
- Wanrong Guo (ORCID: https://orcid.org/0009-0004-5781-8548)
- Xiuling Qi
Institutions
- Liaoning Technical University (CN)
- Northeast Normal University (CN)
Publication Details
- Journal
- Journal of Materials Chemistry C
- Published
- 2024-12-18
- DOI
- https://doi.org/10.1039/d4tc03784g
- Citations
- 3
- Primary Topic
- Advanced Thermoelectric Materials and Devices
- Type
- article
- Field-Weighted Citation Impact
- 0.35
Funders
- National Natural Science Foundation of China
- Department of Education of Liaoning Province
- Department of Science and Technology of Liaoning Province
- National College Students Innovation and Entrepreneurship Training Program