| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Phase Stability, Phase Transformations, and Reactive Phase Formation in Electronic Materials XXIII
|
| Presentation Title |
Phase Stability and Binodal/Spinodal Decomposition of Ag- and S-alloyed CIGS Absorbers: An Ab Initio-assisted CALPHAD Study with Key Experiments |
| Author(s) |
Thung-Yu Tsai, Ngoc Thanh Thuy Tran, Shih-kang Lin |
| On-Site Speaker (Planned) |
Thung-Yu Tsai |
| Abstract Scope |
Remarkable advancements have been achieved in enhancing the efficiency of Cu(In,Ga)Se2 (CIGS)-based absorbers by incorporating Ag and S as alloying elements. These additions provide the opportunities to optimize solar cell performance by modifying the bandgap profile. However, it is also theoretically predicted by DFT calculations recently that a miscibility gap exists in the chalcopyrite phase for Ag-alloyed CIGS materials, which may potentially lead to spinodal or binodal decomposition and negatively impacts on carrier collection efficiency. To address these concerns, we employed ab initio-assisted CALPHAD-type thermodynamic modeling to distinguish the miscibility gap for the Ag-Cu-In-Ga-Se-S composition space. We further confirmed the existence of the miscibility with phase equilibrium experiments in the regions of higher driving forces of decomposition. The phase stability of the senary chalcopyrite phase and its compositional dependence against Ag/(Ag+Cu), Ga/(Ga+In), and S/(S+Se). This research provides important criteria for materials design and device reliability in CIGS-based absorbers. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Electronic Materials, Other |