| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Alloys and Compounds for Thermoelectric and Solar Cell Applications XIII
|
| Presentation Title |
Accelerating the Search of New Photovoltaic and Opto-Electronic Materials Using High-Throughput Computational Screening |
| Author(s) |
Geoffroy Hautier |
| On-Site Speaker (Planned) |
Geoffroy Hautier |
| Abstract Scope |
Finding new opto-electronic materials and solar absorbers is a cumbersome process involving complex synthesis and characterization. First principles computations on the other hand offers an attractive way to speed up this process. Here, we will especially focus on our large scale high-throughput computational search for new solar absorbers among known inorganic materials. Screening 30,000 known inorganic compounds, we identify a handful very promising solar absorbers. I will discuss the chemistries that we found and highlight a few interesting new materials. I will especially focus on BaCd2P2, a new phosphide where our experimental follow-up work confirms the promising properties including adequate band gap but also long carrier lifetime. I will finish my talk by proposing perspective to extend the approach to other opto-electronic materials including infra-red detectors and outline the possibilities brought by bringing defects in the high-throughput screening for semiconducting materials. |
| Proceedings Inclusion? |
Planned: |