Simulation of ion demixing in halide perovskites using Cahn-Hilliard equation
Fuente:
arXiv
Salvato in:
| Autori principali: | , , , |
|---|---|
| Natura: | Preprint |
| Pubblicazione: |
2024
|
| Soggetti: | |
| Accesso online: | |
| Tags: |
Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne!!
|
| _version_ | 1866913189523881984 |
|---|---|
| author | Holý, V. Dopita, M. Horák, L. Holovský, J. |
| author_facet | Holý, V. Dopita, M. Horák, L. Holovský, J. |
| contents | Light-induced ion demixing in mixed-halide perovskites is simulated numerically using the phenomenological Cahn-Hilliard equation. In the model we consider the energy of local elastic deformation as well as the contribution of free carriers, assuming both the polaron and the bandgap-fluctuation models. The simulation shows that elastic deformation suppresses the demixing while free carriers promote it, however both effects lead to different ion distributions. The free-carrier-induced demixing appears only for larger starting random fluctuations of the ion concentration. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2401_04533 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Simulation of ion demixing in halide perovskites using Cahn-Hilliard equation Holý, V. Dopita, M. Horák, L. Holovský, J. Materials Science Light-induced ion demixing in mixed-halide perovskites is simulated numerically using the phenomenological Cahn-Hilliard equation. In the model we consider the energy of local elastic deformation as well as the contribution of free carriers, assuming both the polaron and the bandgap-fluctuation models. The simulation shows that elastic deformation suppresses the demixing while free carriers promote it, however both effects lead to different ion distributions. The free-carrier-induced demixing appears only for larger starting random fluctuations of the ion concentration. |
| title | Simulation of ion demixing in halide perovskites using Cahn-Hilliard equation |
| topic | Materials Science |
| url | https://arxiv.org/abs/2401.04533 |