| Full text | |
| Author(s): |
Bonadio, A.
[1]
;
Sabino, F. P.
[1]
;
Tofanello, A.
[1]
;
Freitas, A. L. M.
[1]
;
de Paula, V. G.
[1]
;
Dalpian, G. M.
[1]
;
Souza, J. A.
[1]
Total Authors: 7
|
| Affiliation: | [1] Univ Fed ABC, BR-09210580 Santo Andre, SP - Brazil
Total Affiliations: 1
|
| Document type: | Journal article |
| Source: | Journal of Physical Chemistry C; v. 125, n. 28, p. 15636-15646, JUL 22 2021. |
| Web of Science Citations: | 0 |
| Abstract | |
We have produced Fe-doped paramagnetic MAPbI(3) microwires by using a novel strategy involving a self-assembly growth process of {[}PbI6](4-) octahedral chains in the presence of liquid water. Structural and morphological studies confirmed that after the dissociation and recrystallization process, the doped samples preserved both the perovskite structure with a tetragonal phase and a microwire shape, while X-ray photoelectron spectroscopy revealed the presence of mixed-valence Fe3+/Fe2+ ions with negligible change in the PbI6 cage environment and the maximum valence band position. From first-principles calculations, we determined that Fe2+ ions are localized in the interstitial site while Fe3+ ones are substitutional on Pb sites. The very high mobility and static dielectric constant, achieved by photogenerated charge carriers in MAPbI(3), are suppressed for Fe-doped MAPbI(3) samples. These results are discussed based on a nonradiative recombination process assisted by phonons that is activated by the inclusion of the Fe ions. Our ab initio calculations support this model that can be also used to explain the quenching of the photoluminescence emission peaks. The successful insertion of dopants that can tune the perovskite's physical properties is important to the development of functional devices and is also able to open new potential applications such as in magnetic/semiconducting devices. (AU) | |
| FAPESP's process: | 18/14181-0 - Synthesis, characterization and computational simulation of hybrid APbX3 (a = CS and CH3NH3; X = i, CL e Br) perovskites |
| Grantee: | Ariany Bonadio |
| Support Opportunities: | Scholarships in Brazil - Doctorate (Direct) |
| FAPESP's process: | 20/09563-1 - Synthesis and characterization of CH3NH3PbX3 perovskite films |
| Grantee: | André Luiz Martins de Freitas |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |
| FAPESP's process: | 19/21656-8 - Big Data methods to tune perovskites to target properties: alloys, defects and doping |
| Grantee: | Fernando Pereira Sabino |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |
| FAPESP's process: | 18/15682-3 - Synthesis and Physical Properties Characterization of Micro/Nanostructured Semiconducting Materials |
| Grantee: | José Antonio Souza |
| Support Opportunities: | Regular Research Grants |
| FAPESP's process: | 17/02317-2 - Interfaces in materials: electronic, magnetic, structural and transport properties |
| Grantee: | Adalberto Fazzio |
| Support Opportunities: | Research Projects - Thematic Grants |