Mechanisms of mechanochemical synthesis of cesium lead halides: pathways toward stabilization of α-CsPbI3
Source abstract
Abstract
Cesium lead iodide with cubic perovskite structure (α-CsPbI3) is gaining significant interest in photovoltaic applications due to its excellent absorbance of the visible solar light and other attractive optoelectronic properties. However, the synthesis of stable α-CsPbI3 poses a significant challenge. Mechanochemical synthesis is emerging as a suitable method for the preparation of cesium lead halides. This work investigates the ball milling-induced synthesis of cesium lead halides perovskite phase using halide mixing or doping approaches. The synthesis in the CsI + PbI2, CsBr + PbBr2, CsBr + PbI2, and CsI + PbI2 + NdI3 mixtures and halide exchange reactions in the CsPbBr3 + 3KI and CsBr + PbBr2 + 3KI systems are investigated to elucidate the mechanism of this process. Then, CsPb(I1−xBrx)3 and CsPb(1−y)NdyI3 materials with different x and y ratios are prepared, and their stability is probed in the air using light absorption spectroscopy. These results suggest that Nd doping is more efficient in the stabilization of the perovskite structure than partial replacement of iodine with bromine. Microstructure observations reveal the existence of two different product formation mechanisms depending on the mechanical properties of reactants. The results reveal that the milling temperature has a significant impact on the reaction kinetics. The produced particles nucleate and grow at the reactant interface and retard the synthesis reaction by creating a diffusion barrier. Extended milling reduces the product particle size and creates fresh contact between reactants, thus facilitating reaction completion.
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Research context
OpenAlex topics: Perovskite Materials and Applications · Solid-state spectroscopy and crystallography · Chalcogenide Semiconductor Thin Films
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (56)
Show source-provided references
1. Kim HS, Lee CR, Im JH et al (2012) Lead iodide perovskite sensitized all-solid-state submicron thin film mesoscopic solar cell with efficiency exceeding 9%. Sci Rep 2:1–7. https://doi.org/10.1038/srep0059110.1038/srep00591 ↗
2. Stoumpos CC, Malliakas CD, Kanatzidis MG (2013) Semiconducting tin and lead iodide perovskites with organic cations: phase transitions, high mobilities, and near-infrared photoluminescent properties. Inorg Chem 52:9019–9038. https://doi.org/10.1021/ic401215x10.1021/ic401215x ↗
3. Xiao C, Li Z, Guthrey H et al (2015) Mechanisms of electron-beam-induced damage in perovskite thin films revealed by cathodoluminescence spectroscopy. J Phys Chem C 119:26904–26911. https://doi.org/10.1021/acs.jpcc.5b0969810.1021/acs.jpcc.5b09698 ↗
4. Song J, Li J, Li X et al (2015) Quantum dot light-emitting diodes based on inorganic perovskite cesium lead halides (CsPbX3). Adv Mater 27:7162–7167. https://doi.org/10.1002/adma.20150256710.1002/adma.201502567 ↗
5. Li Z, Xu J, Zhou S et al (2018) CsBr-induced stable CsPbI3−x Brx (x < 1) perovskite films at low temperature for highly efficient planar heterojunction solar cells. ACS Appl Mater Interfaces 10:38183–38192. https://doi.org/10.1021/acsami.8b1147410.1021/acsami.8b11474 ↗
6. Wang K, Jin Z, Liang L et al (2018) All-inorganic cesium lead iodide perovskite solar cells with stabilized efficiency beyond 15%. Nat Commun 9:1–8. https://doi.org/10.1038/s41467-018-06915-610.1038/s41467-018-06915-6 ↗
7. Steele JA, Jin H, Dovgaliuk I et al (2019) Thermal unequilibrium of strained black CsPbI3 thin films. Science 80(365):679–684. https://doi.org/10.1126/science.aax387810.1126/science.aax3878 ↗
8. Zhou Y, Zhao Y (2019) Chemical stability and instability of inorganic halide perovskites. Energy Environ Sci 12:1495–1511. https://doi.org/10.1039/c8ee03559h10.1039/c8ee03559h ↗
9. Wang K, Jin Z, Liang L et al (2019) Chlorine doping for black γ-CsPbI3 solar cells with stabilized efficiency beyond 16%. Nano Energy 58:175–182. https://doi.org/10.1016/j.nanoen.2019.01.03410.1016/j.nanoen.2019.01.034 ↗
10. Luo P, Xia W, Zhou S et al (2016) Solvent engineering for ambient-air-processed, phase-stable CsPbI3 in perovskite solar cells. J Phys Chem Lett 7:3603–3608. https://doi.org/10.1021/acs.jpclett.6b0157610.1021/acs.jpclett.6b01576 ↗
11. Frolova LA, Anokhin DV, Piryazev AA et al (2017) Highly efficient all-inorganic planar heterojunction perovskite solar cells produced by thermal coevaporation of CsI and PbI2. J Phys Chem Lett 8:67–72. https://doi.org/10.1021/acs.jpclett.6b0259410.1021/acs.jpclett.6b02594 ↗
12. Wang Q, Zheng X, Deng Y et al (2017) Stabilizing the α-phase of CsPbI3 perovskite by sulfobetaine zwitterions in one-step spin-coating films. Joule 1:371–382. https://doi.org/10.1016/j.joule.2017.07.01710.1016/j.joule.2017.07.017 ↗
13. Wang P, Zhang X, Zhou Y, et al (2018) Solvent-controlled growth of inorganic perovskite films in dry environment for efficient and stable solar cells. Nat Commun 9:1–7. https://doi.org/10.1038/s41467-018-04636-410.1038/s41467-017-02088-w ↗
14. Dutta A, Pradhan N (2019) Phase-stable red-emitting CsPbI 3 nanocrystals: successes and challenges. ACS Energy Lett 4:709–719. https://doi.org/10.1021/acsenergylett.9b0013810.1021/acsenergylett.9b00138 ↗
15. Marronnier A, Roma G, Boyer-Richard S et al (2018) Anharmonicity and disorder in the black phases of CsPbI3 used for stable inorganic perovskite solar cells. ACS Nano 12:3477–3486. https://doi.org/10.1109/PVSC.2018.854776910.1109/PVSC.2018.8547769 ↗
16. Sutton RJ, Filip MR, Haghighirad AA et al (2018) Cubic or orthorhombic? Revealing the crystal structure of metastable black-phase CsPbI 3 by theory and experiment. ACS Energy Lett 3:1787–1794. https://doi.org/10.1021/acsenergylett.8b0067210.1021/acsenergylett.8b00672 ↗
17. Protesescu L, Yakunin S, Bodnarchuk MI et al (2015) Nanocrystals of cesium lead halide perovskites (CsPbX3, X = Cl, Br, and I): novel optoelectronic materials showing bright emission with wide color gamut. Nano Lett 15:3692–3696. https://doi.org/10.1021/nl504877910.1021/nl5048779 ↗
18. Travis W, Glover ENK, Bronstein H et al (2016) On the application of the tolerance factor to inorganic and hybrid halide perovskites: a revised system. Chem Sci 7:4548–4556. https://doi.org/10.1039/c5sc04845a10.1039/c5sc04845a ↗
19. Li Z, Yang M, Park JS et al (2016) Stabilizing perovskite structures by tuning tolerance factor: formation of formamidinium and cesium lead iodide solid-state alloys. Chem Mater 28:284–292. https://doi.org/10.1021/acs.chemmater.5b0410710.1021/acs.chemmater.5b04107 ↗
20. Akkerman QA, Meggiolaro D, Dang Z et al (2017) Fluorescent alloy CsPbxMn1−xI3 perovskite nanocrystals with high structural and optical stability. ACS Energy Lett 2:2183–2186. https://doi.org/10.1021/acsenergylett.7b0070710.1021/acsenergylett.7b00707 ↗
21. Zou S, Liu Y, Li J et al (2017) Stabilizing cesium lead halide perovskite lattice through Mn(II) substitution for air-stable light-emitting diodes. J Am Chem Soc 139:11443–11450. https://doi.org/10.1021/jacs.7b0400010.1021/jacs.7b04000 ↗
22. Liu F, Ding C, Zhang Y et al (2017) Colloidal synthesis of air-stable alloyed CsSn1−xPbxI3 perovskite nanocrystals for use in solar cells. J Am Chem Soc 139:16708–16719. https://doi.org/10.1021/jacs.7b0862810.1021/jacs.7b08628 ↗
23. Yao JS, Ge J, Wang KH et al (2019) Few-nanometer-sized α-CsPbI3 Quantum Dots Enabled by Strontium Substitution and Iodide Passivation for Efficient Red-Light Emitting Diodes. J Am Chem Soc 141:2069–2079. https://doi.org/10.1021/jacs.8b1144710.1021/jacs.8b11447 ↗
24. Hu Y, Bai F, Liu X et al (2017) Bismuth incorporation stabilized α-CsPbI3 for fully inorganic perovskite solar cells. ACS Energy Lett 2:2219–2227. https://doi.org/10.1021/acsenergylett.7b0050810.1021/acsenergylett.7b00508 ↗
25. Xiang S, Li W, Wei Y et al (2018) The synergistic effect of non-stoichiometry and Sb-doping on air-stable α-CsPbI3 for efficient carbon-based perovskite solar cells. Nanoscale 10:9996–10004. https://doi.org/10.1039/c7nr09657g10.1039/c7nr09657g ↗
26. Jena AK, Kulkarni A, Sanehira Y et al (2018) Stabilization of α-CsPbI3 in ambient room temperature conditions by incorporating Eu into CsPbI3. Chem Mater 30:6668–6674. https://doi.org/10.1021/acs.chemmater.8b0180810.1021/acs.chemmater.8b01808 ↗
27. Dastidar S, Egger DA, Tan LZ et al (2016) High Chloride Doping Levels Stabilize the Perovskite Phase of Cesium Lead Iodide. Nano Lett 16:3563–3570. https://doi.org/10.1021/acs.nanolett.6b0063510.1021/acs.nanolett.6b00635 ↗
28. Jing Q, Zhang M, Huang X et al (2017) Surface passivation of mixed-halide perovskite CsPb(Br:XI1–x)3 nanocrystals by selective etching for improved stability. Nanoscale 9:7391–7396. https://doi.org/10.1039/c7nr01287j10.1039/c7nr01287j ↗
29. He Y, Gong J, Zhu Y et al (2018) Highly pure yellow light emission of perovskite CsPb(BrxI1−x)3 quantum dots and their application for yellow light-emitting diodes. Opt Mater (Amst) 80:1–6. https://doi.org/10.1016/j.optmat.2018.04.00910.1016/j.optmat.2018.04.009 ↗
30. Manukyan KV, Yeghishyan AV, Moskovskikh DO et al (2016) Mechanochemical synthesis of methylammonium lead iodide perovskite. J Mater Sci 51:9123–9130. https://doi.org/10.1007/s10853-016-0165-410.1007/s10853-016-0165-4 ↗
31. Karmakar A, Askar AM, Bernard GM et al (2018) Mechanochemical synthesis of methylammonium lead mixed-halide perovskites: unraveling the solid-solution behavior using solid-state NMR. Chem Mater 30:2309–2321. https://doi.org/10.1021/acs.chemmater.7b0520910.1021/acs.chemmater.7b05209 ↗
32. Sarkar A, Acharyya P, Sasmal R et al (2018) Synthesis of ultrathin few-layer 2D nanoplates of halide perovskite Cs3 Bi2I9 and single-nanoplate super-resolved fluorescence microscopy. Inorg Chem 57:15558–15565. https://doi.org/10.1021/acs.inorgchem.8b0288710.1021/acs.inorgchem.8b02887 ↗
33. Jodlowski AD, Yépez A, Luque R et al (2016) Benign-by-design solventless mechanochemical synthesis of three-, two-, and one-dimensional hybrid perovskites. Angew Chem Int Ed 55:14972–14977. https://doi.org/10.1002/anie.20160739710.1002/anie.201607397 ↗
34. Palazon F, El Ajjouri Y, Bolink HJ (2019) Making by grinding: mechanochemistry boosts the development of halide perovskites and other multinary metal halides. Adv Energy Mater 1902499:1902499. https://doi.org/10.1002/aenm.20190249910.1002/aenm.201902499 ↗
35. Elseman AM, Shalan AE, Rashad MM, Hassan AM (2017) Experimental and simulation study for impact of different halides on the performance of planar perovskite solar cells. Mater Sci Semicond Process 66:176–185. https://doi.org/10.1016/j.mssp.2017.04.02210.1016/j.mssp.2017.04.022 ↗
36. Pal P, Saha S, Banik A et al (2018) All-solid-state mechanochemical synthesis and post-synthetic transformation of inorganic perovskite-type halides. Chem A Eur J 24:1811–1815. https://doi.org/10.1002/chem.20170568210.1002/chem.201705682 ↗
37. Singhal N, Chakraborty R, Ghosh P, Nag A (2018) Low-bandgap Cs4CuSb2Cl12 layered double perovskite: synthesis, reversible thermal changes, and magnetic interaction. Chem Asian J 13:2085–2092. https://doi.org/10.1002/asia.20180063510.1002/asia.201800635 ↗
38. El Ajjouri Y, Chirvony VS, Sessolo M et al (2018) Incorporation of potassium halides in the mechanosynthesis of inorganic perovskites: feasibility and limitations of ion-replacement and trap passivation. RSC Adv 8:41548–41551. https://doi.org/10.1039/c8ra08823c10.1039/c8ra08823c ↗
39. Jiang G, Guhrenz C, Kirch A et al (2019) Highly luminescent and water-resistant CsPbBr3–CsPb2Br5 perovskite nanocrystals coordinated with partially hydrolyzed poly(methyl methacrylate) and polyethylenimine. ACS Nano 13:10386–10396. https://doi.org/10.1021/acsnano.9b0417910.1021/acsnano.9b04179 ↗
40. Karmakar A, Dodd MS, Zhang X et al (2019) Mechanochemical synthesis of 0D and 3D cesium lead mixed halide perovskites. Chem Commun 55:5079–5082. https://doi.org/10.1039/c8cc09622h10.1039/c8cc09622h ↗
41. García-Espejo G, Rodríguez-Padrón D, Luque R et al (2019) Mechanochemical synthesis of three double perovskites: Cs2AgBiBr6, (CH3NH3)2 TlBiBr6 and Cs2 AgSbBr6. Nanoscale 11:16650–16657. https://doi.org/10.1039/c9nr06092h10.1039/c9nr06092h ↗
42. Saski M, Prochowicz D, Marynowski W, Lewiński J (2019) Mechanosynthesis, optical, and morphological properties of MA, FA, Cs-SnX3 (X = I, Br) and phase-pure mixed-halide MASnIxBr3–x perovskites. Eur J Inorg Chem 2019:2680–2684. https://doi.org/10.1002/ejic.20180150610.1002/ejic.201801506 ↗
43. Martínez-Sarti L, Palazon F, Sessolo M, Bolink HJ (2020) Dry mechanochemical synthesis of highly luminescent, blue and green hybrid perovskite solids. Adv Opt Mater 8:2–8. https://doi.org/10.1002/adom.20190149410.1002/adom.201901494 ↗
44. Rosales BA, Wei L, Vela J (2019) Synthesis and mixing of complex halide perovskites by solvent-free solid-state methods. J Solid State Chem 271:206–215. https://doi.org/10.1016/j.jssc.2018.12.05410.1016/j.jssc.2018.12.054 ↗
45. Chen D, Li J, Chen X et al (2019) Grinding synthesis of APbX3 (A = MA, FA, Cs; X = Cl, Br, I) perovskite nanocrystals. ACS Appl Mater Interfaces 11:10059–10067. https://doi.org/10.1021/acsami.8b1900210.1021/acsami.8b19002 ↗
46. Protesescu L, Yakunin S, Nazarenko O et al (2018) Low-cost synthesis of highly luminescent colloidal lead halide perovskite nanocrystals by wet ball milling. ACS Appl Nano Mater 1:1300–1308. https://doi.org/10.1021/acsanm.8b0003810.1021/acsanm.8b00038 ↗
47. Kubicki DJ, Prochowicz D, Pinon A et al (2019) Doping and phase segregation in Mn2-and Co2+-doped lead halide perovskites from 133 Cs and 1H NMR relaxation enhancement. J Mater Chem A 7:2326–2333. https://doi.org/10.1039/c8ta11457a10.1039/c8ta11457a ↗
48. Xiang W, Wang Z, Kubicki DJ et al (2019) Europium-Doped CsPbI 2 Br for Stable and Highly Efficient Inorganic Perovskite Solar Cells. Joule 3:205–214. https://doi.org/10.1016/j.joule.2018.10.00810.1016/j.joule.2018.10.008 ↗
49. Crane MJ, Kroupa DM, Roh JY et al (2019) Single-source vapor deposition of quantum-cutting Yb3+:CsPb(Cl1−xBrx)3 and other complex metal-halide perovskites. ACS Appl Energy Mater 2:4560–4565. https://doi.org/10.1021/acsaem.9b0091010.1021/acsaem.9b00910 ↗
50. Zhu ZY, Yang QQ, Gao LF et al (2017) Solvent-free mechanosynthesis of composition-tunable cesium lead halide perovskite quantum dots. J Phys Chem Lett 8:1610–1614. https://doi.org/10.1021/acs.jpclett.7b0043110.1021/acs.jpclett.7b00431 ↗
51. Hong Z, Tan D, John RA et al (2019) Completely solvent-free protocols to access phase-pure, metastable metal halide perovskites and functional photodetectors from the precursor salts. iScience 16:312–325. https://doi.org/10.1016/j.isci.2019.05.04210.1016/j.isci.2019.05.042 ↗
52. Leupold N, Schötz K, Cacovich S et al (2019) High versatility and stability of mechanochemically synthesized halide perovskite powders for optoelectronic devices. ACS Appl Mater Interfaces 11:30259–30268. https://doi.org/10.1021/acsami.9b0916010.1021/acsami.9b09160 ↗
53. Palazon F, El Ajjouri Y, Sebastia-Luna P et al (2019) Mechanochemical synthesis of inorganic halide perovskites: evolution of phase-purity, morphology, and photoluminescence. J Mater Chem C 7:11406–11410. https://doi.org/10.1039/c9tc03778k10.1039/c9tc03778k ↗
54. Bella F, Renzi P, Cavallo C, Gerbaldi C (2018) Caesium for perovskite solar cells: an overview. Chem Eur J 24:12183–12205. https://doi.org/10.1002/chem.20180109610.1002/chem.201801096 ↗
55. Manukyan KV, Mason BA, Groven LJ et al (2012) Tailored reactivity of Ni + Al nanocomposites: microstructural correlations. J Phys Chem C 116:21027–21038. https://doi.org/10.1021/jp303407e10.1021/jp303407e ↗
56. Manukyan KV, Lin YC, Rouvimov S et al (2013) Microstructure-reactivity relationship of Ti + C reactive nanomaterials. J Appl Phys 113:024302. https://doi.org/10.1063/1.477347510.1063/1.4773475 ↗