About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
2026 Technical Division Student Poster Contest
|
| Presentation Title |
SPU-1: High-Performance Numerical Simulation of Stabilization Treatments for Perovskite Crystals in Solar Cell Applications |
| Author(s) |
Frederico Muylaert Margem, Sergio Neves Monteiro, Willian Bittencourt coelho, Josiane Coelho de Oliveira, Felipe Castilho da Silva |
| On-Site Speaker (Planned) |
Frederico Muylaert Margem |
| Abstract Scope |
This project aims to develop and implement high-performance numerical simulations to investigate stabilization treatments capable of enhancing the structural and operational durability of perovskite crystals used in photovoltaic cells. Leveraging advanced computational power, the study integrates multiscale modeling, density functional theory (DFT), and molecular dynamics (MD) to explore the effects of chemical, thermal, and interfacial treatments on crystal stability under real operating conditions. The simulations will identify degradation pathways, predict treatment efficiency, and guide the selection of stabilization strategies that minimize ion migration, moisture sensitivity, and thermal instability—key challenges limiting the commercial viability of perovskite solar technologies. The expected outcomes include a computational framework for rapid evaluation of new treatments, detailed insights into the mechanisms governing crystal stabilization, and predictive models that support the development of more robust, long-lived perovskite photovoltaic devices. This project provides essential scientific foundations for accelerating next-generation solar energy solutions. |
| Proceedings Inclusion? |
Undecided |
| Keywords |
Electronic Materials, Energy Conversion and Storage, Mechanical Properties |