Layer-by-layer anionic diffusion in two-dimensional halide perovskite vertical heterostructures
Source abstract
Abstract
Anionic diffusion in a soft crystal lattice of hybrid halide perovskites affects their stability, optoelectronic properties and the resulting device performance. The use of two-dimensional (2D) halide perovskites improves the chemical stability of perovskites and suppresses the intrinsic anionic diffusion in solid-state devices. Based on this strategy, devices with an enhanced stability and reduced hysteresis have been achieved. However, a fundamental understanding of the role of organic cations in inhibiting anionic diffusion across the perovskite-ligand interface is missing. Here we demonstrate the first quantitative investigation of the anionic interdiffusion across atomically flat 2D vertical heterojunctions. Interestingly, the halide diffusion does not follow the classical diffusion process. Instead, a 'quantized' layer-by-layer diffusion model is proposed to describe the behaviour of the anionic migration in 2D halide perovskites. Our results provide important insights into the mechanism of anionic diffusion in 2D perovskites and provide a new materials platform with an enhanced stability for heterostructure integration.
Source: europepmc · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Perovskite Materials and Applications · 2D Materials and Applications · Quantum Dots Synthesis And Properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (50)
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1. Kojima, A., Teshima, K., Shirai, Y. & Miyasaka, T. Organometal halide perovskites as visible-light sensitizers for photovoltaic cells. J. Am. Chem. Soc. 131, 6050–6051 (2009).10.1021/ja809598r ↗
2. Burschka, J. et al. Sequential deposition as a route to high-performance perovskite-sensitized solar cells. Nature 499, 316–319 (2013).10.1038/nature12340 ↗
3. Zhou, H. et al. Interface engineering of highly efficient perovskite solar cells. Science 345, 542–546 (2014).10.1126/science.1254050 ↗
4. Cao, Y. et al. Perovskite light-emitting diodes based on spontaneously formed submicrometre-scale structures. Nature 562, 249–253 (2018).10.1038/s41586-018-0576-2 ↗
5. Stranks, S. D. & Snaith, H. J. Metal–halide perovskites for photovoltaic and light-emitting devices. Nat. Nanotechnol. 10, 391–402 (2015).10.1038/nnano.2015.90 ↗
6. Zhu, H. et al. Lead halide perovskite nanowire lasers with low lasing thresholds and high quality factors. Nat. Mater. 14, 636–642 (2015).10.1038/nmat4271 ↗
7. Saidaminov, M. I. et al. Planar-integrated single-crystalline perovskite photodetectors. Nat. Commun. 6, 8724 (2015).10.1038/ncomms9724 ↗
8. Snaith, H. J. et al. Anomalous hysteresis in perovskite solar cells. J. Phys. Chem. Lett. 5, 1511–1515 (2014).10.1021/jz500113x ↗
9. Vashishtha, P. & Halpert, J. E. Field-driven ion migration and color instability in red-emitting mixed halide perovskite nanocrystal light-emitting diodes. Chem. Mater. 29, 5965–5973 (2017).10.1021/acs.chemmater.7b01609 ↗
10. Yuan, Y. & Huang, J. Ion migration in organometal trihalide perovskite and its impact on photovoltaic efficiency and stability. Acc. Chem. Res. 49, 286–293 (2016).10.1021/acs.accounts.5b00420 ↗
11. Xiao, Z. et al. Giant switchable photovoltaic effect in organometal trihalide perovskite devices. Nat. Mater. 14, 193–198 (2015).10.1038/nmat4150 ↗
12. Eames, C. et al. Ionic transport in hybrid lead iodide perovskite solar cells. Nat. Commun. 6, 7497 (2015).10.1038/ncomms8497 ↗
13. Pan, D. et al. Visualization and studies of ion-diffusion kinetics in cesium lead bromide perovskite nanowires. Nano Lett. 18, 1807–1813 (2018).10.1021/acs.nanolett.7b05023 ↗
14. Zhang, Y. et al. Quantitative imaging of anion exchange kinetics in halide perovskites. Proc. Natl Acad. Sci. USA 116, 12648–12653 (2019).10.1073/pnas.1903448116 ↗
15. Lai, M. et al. Intrinsic anion diffusivity in lead halide perovskites is facilitated by a soft lattice. Proc. Natl Acad. Sci. USA 115, 11929–11934 (2018).10.1073/pnas.1812718115 ↗
16. Shewmon, N. T., Yu, H., Constantinou, I., Klump, E. & So, F. Formation of perovskite heterostructures by ion exchange. ACS Appl. Mater. Interfaces 8, 33273–33279 (2016).10.1021/acsami.6b10034 ↗
17. Saparov, B. & Mitzi, D. B. Organic–inorganic perovskites: structural versatility for functional materials design. Chem. Rev. 116, 4558–4596 (2016).10.1021/acs.chemrev.5b00715 ↗
18. Gao, Y. et al. Molecular engineering of organic–inorganic hybrid perovskites quantum wells. Nat. Chem. 11, 1151–1157 (2019).10.1038/s41557-019-0354-2 ↗
19. Lin, Y. et al. Suppressed ion migration in low-dimensional perovskites. ACS Energy Lett. 2, 1571–1572 (2017).10.1021/acsenergylett.7b00442 ↗
20. Cao, D. H., Stoumpos, C. C., Farha, O. K., Hupp, J. T. & Kanatzidis, M. G. 2D homologous perovskites as light-absorbing materials for solar cell applications. J. Am. Chem. Soc. 137, 7843–7850 (2015).10.1021/jacs.5b03796 ↗
21. Smith, I. C., Hoke, E. T., Solis-Ibarra, D., McGehee, M. D. & Karunadasa, H. I. A layered hybrid perovskite solar cell absorber with enhanced moisture stability. Angew. Chem. Int. Ed. 53, 11232–11235 (2014).10.1002/anie.201406466 ↗
22. Saidaminov, M. I., Mohammed, O. F. & Bakr, O. M. Low-dimensional-networked metal halide perovskites: the next big thing. ACS Energy Lett. 2, 889–896 (2017).10.1021/acsenergylett.6b00705 ↗
23. Dou, L. et al. Atomically thin two-dimensional organic–inorganic hybrid perovskites. Science 349, 1518–1521 (2015).10.1126/science.aac7660 ↗
24. Shi, E. et al. Two-dimensional halide perovskite lateral epitaxial heterostructures. Nature 580, 614–620 (2020).10.1038/s41586-020-2219-7 ↗
25. Wang, J. et al. Controllable synthesis of two-dimensional Ruddlesden–Popper-type perovskite heterostructures. J. Phys. Chem. Lett. 8, 6211–6219 (2017).10.1021/acs.jpclett.7b02843 ↗
26. Wang, J. X. et al. Controllable growth of centimeter-sized 2D perovskite heterostructures for highly narrow dual-band photodetectors. ACS Nano 13, 5473–5484 (2019).10.1021/acsnano.9b00259 ↗
27. Hwang, B. H. & Lee, J.-S. 2D perovskite‐based self‐aligned lateral heterostructure photodetectors utilizing vapor deposition. Adv. Opt. Mater. 7, 1801356 (2019).10.1002/adom.201801356 ↗
28. Fu, Y. et al. Multicolor heterostructures of two-dimensional layered halide perovskites that show interlayer energy transfer. J. Am. Chem. Soc. 140, 15675–15683 (2018).10.1021/jacs.8b07843 ↗
29. Yuan, M. et al. Perovskite energy funnels for efficient light-emitting diodes. Nat. Nanotechnol. 11, 872–877 (2016).10.1038/nnano.2016.110 ↗
30. Wang, N. et al. Perovskite light-emitting diodes based on solution-processed self-organized multiple quantum wells. Nat. Photon. 10, 699–704 (2016).10.1038/nphoton.2016.185 ↗
31. Xing, G. et al. Transcending the slow bimolecular recombination in lead–halide perovskites for electroluminescence. Nat. Commun. 8, 14558 (2017).10.1038/ncomms14558 ↗
32. Quan, L. N. et al. Tailoring the energy landscape in quasi-2D halide perovskites enables efficient green-light emission. Nano Lett. 17, 3701–3709 (2017).10.1021/acs.nanolett.7b00976 ↗
33. Shang, Q. et al. Unveiling structurally engineered carrier dynamics in hybrid quasi-two-dimensional perovskite thin films toward controllable emission. J. Phys. Chem. Lett. 8, 4431–4438 (2017).10.1021/acs.jpclett.7b01857 ↗
34. Slotcavage, D. J., Karunadasa, H. I. & McGehee, M. D. Light-induced phase segregation in halide–perovskite absorbers. ACS Energy Lett. 1, 1199–1205 (2016).10.1021/acsenergylett.6b00495 ↗
35. Brivio, F., Caetano, C. & Walsh, A. Thermodynamic origin of photoinstability in the CH3NH3Pb(I1–xBrx)3 hybrid halide perovskite alloy. J. Phys. Chem. Lett. 7, 1083–1087 (2016).10.1021/acs.jpclett.6b00226 ↗
36. Yin, W., Yan, Y. & Wei, S. Anomalous alloy properties in mixed halide perovskites. J. Phys. Chem. Lett. 5, 3625–3631 (2014).10.1021/jz501896w ↗
37. Fick, A. Ueber diffusion. Ann. Phys. 170, 59–86 (1855).10.1002/andp.18551700105 ↗
38. Tuck, B. Atomic Diffusion in III–V Semiconductors Ch 2 (IOP, 1988).
39. Matano, C. On the relation between the diffusion-coefficients and concentrations of solid metals (the nickel–copper system). Jpn J. Phys. 8, 109–113 (1993).
40. Arrhenius, S. A. Über die dissociationswärme und den einfluß der temperatur auf den dissociationsgrad der elektrolyte. Z. Phys. Chem. 4, 96–116 (1889).10.1515/zpch-1889-0408 ↗
41. Arrhenius, S. A. Über die reaktionsgeschwindigkeit bei der Inversion von rohrzucker durch säuren. Z. Phys. Chem. 4, 226–248 (1889).10.1515/zpch-1889-0416 ↗
42. Kresse, G. Ab initio molecular dynamics for liquid metals. J. Non-Cryst. Solids 192-193, 222–229 (1995).10.1016/0022-3093(95)00355-X ↗
43. Kresse, G. & Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169–11186 (1996).10.1103/PhysRevB.54.11169 ↗
44. Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953–17979 (1994).10.1103/PhysRevB.50.17953 ↗
45. Kresse, G. & Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 6, 15–50 (1996).10.1016/0927-0256(96)00008-0 ↗
46. Kresse, G. & Hafner, G. Ab initio molecular-dynamics simulation of the liquid–metal-amorphous–semiconductor transition in germanium. Phys. Rev. B 49, 14251–14269 (1994).10.1103/PhysRevB.49.14251 ↗
47. Grimme, S., Antony, J., Ehrlich, S. & Krieg, H. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H–Pu. J. Chem. Phys. 132, 154104 (2010).10.1063/1.3382344 ↗
48. Steiner, S., Khmelevskyi, S., Marsmann, M. & Kresse, G. Calculation of the magnetic anisotropy with projected-augmented-wave methodology and the case study of disordered Fe1–xCox alloys. Phys. Rev. B 93, 224425 (2016).10.1103/PhysRevB.93.224425 ↗
49. Stoltze, P. Simulation Methods in Atomic Scale Materials Physics (Polyteknisk, 1977).
50. Fichthorn, K. A. & Weinberg, W. H. Theoretical foundations of dynamical Monte Carlo simulations. J. Chem. Phys. 95, 1090–1096 (1991).10.1063/1.461138 ↗