| 학회 | 한국재료학회 |
| 학술대회 | 2021년 봄 (05/12 ~ 05/14, 광주 김대중컨벤션센터) |
| 권호 | 27권 1호 |
| 발표분야 | 특별심포지엄 1. 에너지용 기능성 재료 특별심포지엄-오거나이저: 신병하(KAIST) |
| 제목 | Theoretical approaches to developing stable and efficient lead-free halide perovskites |
| 초록 | The toxicity of lead is one of the major bottlenecks for the commercialization of metal halide perovskite (MHP) solar cells. Numerous efforts are underway to create Pb-free solar cells to solve this issue. However, the performance of Pb-free solar cells still lacks compared to that of Pb-based devices. There have been noticeable improvements in the power conversion efficiency (PCE) for the tin-halide perovskites. However, the best PCE of Sn-based solar cell is still under 15 %, although that of Pb-analogs have already exceeded 25 %. The stability of lead-free perovskites is also challenging. Therefore, there have been enormous efforts to overcome the poor efficiency and stability of tin-halide perovskites. The development of stable lead-free perovskites is one of the goals of our research group. We have been trying to develop efficient ways to enhance lead-free perovskites' stability and efficiency using theoretical calculations. It is presented that the fundamental issues on tin-halide perovskites' stability and suggest the pathway based on our theoretical findings. Then, our efforts to develop new lead-free perovskites will be addressed. The halide perovskite systems have various challenging points in terms of theoretical calculation, which demand specific calculation modules. We have been developing the automated massive calculation package to find potential lead-free perovskite candidates. The research progress using our computational tool will be addressed on Bi-based halide perovskites. |
| 저자 | 홍기하 |
| 소속 | 한밭대 |
| 키워드 | <P>Halide perovskite; Solar cell; Density functional theory; Computation</P> |
