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. 2024 May 29;9(23):24925-24932.
doi: 10.1021/acsomega.4c01827. eCollection 2024 Jun 11.

Metastructure Engineering with Ruddlesden-Popper 2D Perovskites: Stability, Flexibility, and Quality Factor Trade-Offs

Seyedeh Bita Saadatmand  1 , Samad Shokouhi  1 , Vahid Ahmadi  1 , Seyedeh Mehri Hamidi  2
Affiliations

Metastructure Engineering with Ruddlesden-Popper 2D Perovskites: Stability, Flexibility, and Quality Factor Trade-Offs

Seyedeh Bita Saadatmand et al. ACS Omega. .

Abstract

In this study, we investigate the opto-electro-mechanical properties, thermodynamic stability, and moisture stability of the Ruddlesden-Popper (RP) two-dimensional perovskites of L2PbI4 (L = PEA, FPEA, BA, and BZA) using density functional theory. The goal is to explore their potential application in metastructures. The results show that the stability of FPEA2PbI4 is better than that of PEA2PbI4, BA2PbI4, and BZA2PbI4 due to the replacement of a hydrogen atom with a fluorine atom. On the other hand, BA2PbI4 is more flexible than other materials because it lacks an aromatic ring in its spacer cation, but it is less stable. We introduce a new kind of metastructure composed of an RP perovskite film and conduct an extensive investigation of the quasi-bound states in the continuum (q-BIC) characteristics by near-field analysis and multipole decomposition calculations. The q-BIC resonances in BZA2PBI4 have a greater quality factor due to its larger refractive index in comparison to other materials. Therefore, based on these results, the perovskite materials can be selected for the metastructures from different aspects of stability, flexibility, and refractive index.

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Conflict of interest statement

The authors declare no competing financial interest.

Figures

Figure 1
Figure 1
Schematic structure of (a) PEA, (b) FPEA, (c) BZA, and (d) BA as spacer cations in RP 2D perovskites.
Figure 2
Figure 2
Band structure and bandgap energy of (a) PEA2PbI4, (b) FPEA2PbI4, (c) BA2PbI4, and (d) BZA2PbI4.
Figure 3
Figure 3
Complex refractive index of (a) PEA2PbI4, (b) FPEA2PbI4, (c) BA2PbI4, and (d) BZA2PbI4.
Figure 4
Figure 4
(a) Schematic of the suggested design, (b) symmetric unit cell, and (c) asymmetric unit cell.
Figure 5
Figure 5
(a) Transmittance spectrum under y-polarization for the symmetry structure, (b) transmittance spectrum under y-polarization for asymmetry structure, (c) Fano fitting of mode A2 in PEA2PbI4 for d = 0.5, (d) Fano fitting of mode B2 in PEA2PbI4 for d = 0.5, (e) transmittance spectrum under x-polarization for the symmetry structure, (f) transmittance spectrum under x-polarization for the asymmetry structure, (g) Fano fitting of mode A1 in PEA2PbI4 for d = 0.5, and (h) Fano fitting of mode B1 in PEA2PbI4 for d = 0.5.
Figure 6
Figure 6
Color maps of displacement currents, electric and magnetic fields, and vector distributions in the x–y plane for (a) A1, (b) B1, (c) A2, and (d) B2.
See this image and copyright information in PMC

References

    1. Fischer B. M.; et al. Terahertz time-domain spectroscopy and imaging of artificial RNA. Opt. Express 2005, 13 (14), 5205–5215. 10.1364/OPEX.13.005205. - DOI - PubMed
    1. Han S.; et al. Extended bound states in the continuum with symmetry-broken terahertz dielectric metasurfaces. Adv. Opt. Mater. 2021, 9 (7), 2002001 10.1002/adom.202002001. - DOI
    1. Doeleman H. M.; et al. Experimental observation of a polarization vortex at an optical bound state in the continuum. Nat. Photonics 2018, 12 (7), 397–401. 10.1038/s41566-018-0177-5. - DOI
    1. Wang P.; et al. Ultra-high-Q resonances in terahertz all-silicon metasurfaces based on bound states in the continuum. Photonics Research 2022, 10 (12), 2743–2750. 10.1364/PRJ.470657. - DOI
    1. Wang Y.; et al. Ultrasensitive terahertz sensing with high-Q toroidal dipole resonance governed by bound states in the continuum in all-dielectric metasurface. Nanophotonics 2021, 10 (4), 1295–1307. 10.1515/nanoph-2020-0582. - DOI

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