About this Abstract |
| Meeting |
MS&T26: Materials Science & Technology
|
| Symposium
|
Energy Materials for Sustainable Development
|
| Presentation Title |
Lattice Similarity and Metastable Materials for High Thermoelectric Performance: Case Study of BiSbTe-Ag |
| Author(s) |
Byungki Ryu, Nirma Kumari, Jae Ki Lee, Jongho Park, Jihui Son, Jeongin Jang, Aadil Fayaz Wani, Eun-Ae Choi, Seung Zeon Han, Jaywan Chung, SuDong Park |
| On-Site Speaker (Planned) |
Byungki Ryu |
| Abstract Scope |
Charge and heat transport are central to thermoelectric applications such as waste-heat recovery and thermal management systems. Introducing material imperfections can improve the thermoelectric figure of merit ZT, by selectively reducing heat transport while preserving charge transport.
Here, we introduce the concept of lattice similarity for designing high-thermoelectric performance metastable BiSbTe-Ag material systems, based on first-principles and machine-learning interatomic potential calculations. We show that Ag incorporation induces the formation of coherent and metastable layers a few atomic layers thick, such as AgBiTe2 layer (XL) and Bi2 bilayer (BL). Because BL and XL exhibit low interfacial energies with the matrix, these metastable building blocks can form homogeneously distributed sub-10 nm structures, thereby supporting enhanced average ZT over 300-600 K. |