| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Alloys and Compounds for Thermoelectric and Solar Cell Applications XIII
|
| Presentation Title |
Exploration of Novel Thermoelectric Materials and Devices via Informatics Approaches |
| Author(s) |
Isao Ohkubo |
| On-Site Speaker (Planned) |
Isao Ohkubo |
| Abstract Scope |
Recent technical advances in materials informatics have led to unprecedented capabilities for materials discovery and development. Today, these methods have reached the stage of dissemination to various forms of experimental research, and active efforts involve experimental researchers. This presentation will introduce our two recent research to explore novel thermoelectric materials and devices. (1) A database of electronic structure parameters of the charge-transfer energy (Δ) and the onsite Coulomb repulsion energy (U) for 566 transition-metal compounds was constructed. High-performance thermoelectric transition-metal compounds were mainly located in two specific regions in the Δ−U diagram. Attractive thermoelectric materials will be developed by searching undeveloped transition-metal compounds located in the two specific regions in the Δ−U diagram. (2) Closed-loop optimization using the machine learning prediction process was developed. This efficient optimization method of process parameters is also expected to be applied to developing thin-film-based micro-scale thermoelectric devices using microfabrication technology. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Electronic Materials, Thin Films and Interfaces, |