The influence of deuteration on the crystal structure of hybrid halide perovskites: a temperature-dependent neutron diffraction study of FAPbBr(3)
- This paper discusses the full structural solution of the hybrid perovskite formamidinium lead tribromide (FAPbBr(3)) and its temperature-dependent phase transitions in the range from 3 K to 300 K using neutron powder diffraction and synchrotron X-ray diffraction. Special emphasis is put on the influence of deuteration on formamidinium, its position in the unit cell and disordering in comparison to fully hydrogenated FAPbBr(3). The temperature-dependent measurements show that deuteration critically influences the crystal structures, i.e. results in partially-ordered temperature-dependent structural modifications in which two symmetry-independent molecule positions with additional dislocation of the molecular centre atom and molecular angle inclinations are present.
| Author details: | Alexandra FranzORCiD, Daniel M. TöbbensGND, Frederike LehmannORCiDGND, Martin KärgellGND, Susan SchorrORCiDGND |
|---|---|
| DOI: | https://doi.org/10.1107/S2052520620002620 |
| ISSN: | 2052-5206 |
| Pubmed ID: | https://pubmed.ncbi.nlm.nih.gov/32831229 |
| Title of parent work (English): | Acta crystallographica; Section B, Structural science, crystal engineering and materials |
| Publisher: | Wiley-Blackwell |
| Place of publishing: | Oxford [u.a.] |
| Publication type: | Article |
| Language: | English |
| Date of first publication: | 2020/04/01 |
| Publication year: | 2020 |
| Release date: | 2024/01/19 |
| Tag: | FAPbBr(3); crystal structure; deuteration; hybrid perovskite; neutron powder diffraction |
| Volume: | 76 |
| Issue: | 2 |
| Number of pages: | 8 |
| First page: | 267 |
| Last Page: | 274 |
| Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie |
| DDC classification: | 5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften |
| Peer review: | Referiert |
| Publishing method: | Open Access / Hybrid Open-Access |
| License (German): |  CC-BY - Namensnennung 4.0 International |
