Lattice matched heterogeneous nucleation eliminate defective buried interface in halide perovskites
Fuente:
arXiv
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866917670517997568 |
|---|---|
| author | Ahlawat, Paramvir Clementi, Cecilia Musil, Felix Filip, Maria-Andreea |
| author_facet | Ahlawat, Paramvir Clementi, Cecilia Musil, Felix Filip, Maria-Andreea |
| contents | Metal halide perovskite-based semi-conducting hetero-structures have emerged as promising electronics for solar cells, light-emitting diodes, detectors, and photo-catalysts. Perovskites' efficiency, electronic properties and their long-term stability directly depend on their morphology [1-24]. Therefore, to manufacture stable and higher efficiency perovskite solar cells and electronics, it is now crucial to understand their micro-structure evolution. In this study, we perform molecular dynamics simulations to investigate the formation of cesium lead bromide perovskite on interfaces. Our simulations reveal that perovskite crystallizes in a heteroepitaxial manner on widely employed oxide interfaces. This could introduce the formation of dislocations, voids and defects in the buried interface, and grain boundaries in the bulk crystal. From simulations, we find that lattice-matched interfaces could enable epitaxial ordered growth of perovskites and may prevent defect formation in the buried interface. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2405_11599 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Lattice matched heterogeneous nucleation eliminate defective buried interface in halide perovskites Ahlawat, Paramvir Clementi, Cecilia Musil, Felix Filip, Maria-Andreea Materials Science Applied Physics Metal halide perovskite-based semi-conducting hetero-structures have emerged as promising electronics for solar cells, light-emitting diodes, detectors, and photo-catalysts. Perovskites' efficiency, electronic properties and their long-term stability directly depend on their morphology [1-24]. Therefore, to manufacture stable and higher efficiency perovskite solar cells and electronics, it is now crucial to understand their micro-structure evolution. In this study, we perform molecular dynamics simulations to investigate the formation of cesium lead bromide perovskite on interfaces. Our simulations reveal that perovskite crystallizes in a heteroepitaxial manner on widely employed oxide interfaces. This could introduce the formation of dislocations, voids and defects in the buried interface, and grain boundaries in the bulk crystal. From simulations, we find that lattice-matched interfaces could enable epitaxial ordered growth of perovskites and may prevent defect formation in the buried interface. |
| title | Lattice matched heterogeneous nucleation eliminate defective buried interface in halide perovskites |
| topic | Materials Science Applied Physics |
| url | https://arxiv.org/abs/2405.11599 |