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Vol. 16 (2024)

Structurally Flexible 2D Spacer for Suppressing the Electron–Phonon Coupling Induced Non-Radiative Decay in Perovskite Solar Cells

https://doi.org/10.1007/s40820-024-01401-9
Ruikun Cao
Zhejiang Provincial Engineering Research Center of Energy Optoelectronic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, People’s Republic of China
Kexuan Sun
Zhejiang Provincial Engineering Research Center of Energy Optoelectronic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, People’s Republic of China
Chang Liu
Zhejiang Provincial Engineering Research Center of Energy Optoelectronic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, People’s Republic of China
Yuhong Mao
Center for High Pressure Science and Technology Advanced Research (HPSTAR), Shanghai 201203, People’s Republic of China
Wei Guo
Zhejiang Provincial Engineering Research Center of Energy Optoelectronic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, People’s Republic of China
Ping Ouyang
Zhejiang Provincial Engineering Research Center of Energy Optoelectronic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, People’s Republic of China
Yuanyuan Meng
Zhejiang Provincial Engineering Research Center of Energy Optoelectronic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, People’s Republic of China
Ruijia Tian
Zhejiang Provincial Engineering Research Center of Energy Optoelectronic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, People’s Republic of China
Lisha Xie
Zhejiang Provincial Engineering Research Center of Energy Optoelectronic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, People’s Republic of China
Xujie Lü
Center for High Pressure Science and Technology Advanced Research (HPSTAR), Shanghai 201203, People’s Republic of China
Ziyi Ge
Zhejiang Provincial Engineering Research Center of Energy Optoelectronic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, People’s Republic of China

Corresponding Author: Ziyi Ge

geziyi@nimte.ac.cn

Nano-Micro Letters, Vol. 16 (2024), Article Number: 178

Abstract

This study presents experimental evidence of the dependence of non-radiative recombination processes on the electron–phonon coupling of perovskite in perovskite solar cells (PSCs). Via A-site cation engineering, a weaker electron–phonon coupling in perovskite has been achieved by introducing the structurally soft cyclohexane methylamine (CMA+) cation, which could serve as a damper to alleviate the mechanical stress caused by lattice oscillations, compared to the rigid phenethyl methylamine (PEA+) analog. It demonstrates a significantly lower non-radiative recombination rate, even though the two types of bulky cations have similar chemical passivation effects on perovskite, which might be explained by the suppressed carrier capture process and improved lattice geometry relaxation. The resulting PSCs achieve an exceptional power conversion efficiency (PCE) of 25.5% with a record-high open-circuit voltage (VOC) of 1.20 V for narrow bandgap perovskite (FAPbI3). The established correlations between electron–phonon coupling and non-radiative decay provide design and screening criteria for more effective passivators for highly efficient PSCs approaching the Shockley–Queisser limit.


Highlights:
1 The soft 2D material reduces the coupling strength between carriers and longitudinal optical phonons, releasing the mechanical stress of lattice vibration.
2 The power conversion efficiency of rigid devices and flexible devices reaches 25.5% and 23.4%, respectively.

Keywords

Electron–phonon coupling A-site cation engineering Non-radiative recombination
Cao, Ruikun, Kexuan Sun, Chang Liu, Yuhong Mao, Wei Guo, Ping Ouyang, Yuanyuan Meng, Ruijia Tian, Lisha Xie, Xujie Lü, and Ziyi Ge. 2024. “Structurally Flexible 2D Spacer for Suppressing the Electron–Phonon Coupling Induced Non-Radiative Decay in Perovskite Solar Cells”. Nano-Micro Letters 16 (April):178. https://doi.org/10.1007/s40820-024-01401-9.
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References
  1. D. Kim, H. Choi, W. Jung, C. Kim, E.Y. Park et al., Phase transition engineering for effective defect passivation to achieve highly efficient and stable perovskite solar cells. Energy Environ. Sci. 16(5), 2045–2055 (2023). https://doi.org/10.1039/D3EE00636K
  2. Q.A. Akkerman, L. Manna, What defines a halide perovskite? ACS Energy Lett. 5, 604–610 (2020). https://doi.org/10.1021/acsenergylett.0c00039
  3. S. Wang, M.-H. Li, Y. Zhang, Y. Jiang, L. Xu et al., Surface n-type band bending for stable inverted CsPbI3 perovskite solar cells with over 20% efficiency. Energy Environ. Sci. 16, 2572–2578 (2023). https://doi.org/10.1039/d3ee00423f
  4. X.-B. Han, C.-Q. Jing, H.-Y. Zu, W. Zhang, Structural descriptors to correlate Pb ion displacement and broadband emission in 2D halide perovskites. J. Am. Chem. Soc. 144, 18595–18606 (2022). https://doi.org/10.1021/jacs.2c08364
  5. B. Febriansyah, Y. Li, D. Giovanni, T. Salim, T.J.N. Hooper et al., Inorganic frameworks of low-dimensional perovskites dictate the performance and stability of mixed-dimensional perovskite solar cells. Mater. Horiz. 10, 536–546 (2023). https://doi.org/10.1039/D2MH00868H
  6. Y. An, C.A.R. Perini, J. Hidalgo, A.-F. Castro-Méndez, J.N. Vagott et al., Identifying high-performance and durable methylammonium-free lead halide perovskites via high-throughput synthesis and characterization. Energy Environ. Sci. 14, 6638–6654 (2021). https://doi.org/10.1039/d1ee02691g
  7. L. Cheng, K. Meng, Z. Qiao, Y. Zhai, R. Yu et al., Tailoring interlayer spacers for efficient and stable formamidinium-based low-dimensional perovskite solar cells. Adv. Mater. 34, e2106380 (2022). https://doi.org/10.1002/adma.202106380
  8. R. Wang, A. Altujjar, N. Zibouche, X. Wang, B.F. Spencer et al., Improving the efficiency and stability of perovskite solar cells using π-conjugated aromatic additives with differing hydrophobicities. Energy Environ. Sci. 16, 2646–2657 (2023). https://doi.org/10.1039/d3ee00247k
  9. J. Kirman, A. Johnston, D.A. Kuntz, M. Askerka, Y. Gao et al., Machine-learning-accelerated perovskite crystallization. Matter 2, 938–947 (2020). https://doi.org/10.1016/j.matt.2020.02.012
  10. C. Ma, M.-C. Kang, S.-H. Lee, S.J. Kwon, H.-W. Cha et al., Photovoltaically top-performing perovskite crystal facets. Joule 6(11), 2626–2643 (2022). https://doi.org/10.1016/j.joule.2022.09.012
  11. C. Zhang, H. Li, C. Gong, Q. Zhuang, J. Chen et al., Crystallization manipulation and holistic defect passivation toward stable and efficient inverted perovskite solar cells. Energy Environ. Sci. 16, 3825–3836 (2023). https://doi.org/10.1039/D3EE00413A
  12. NREL Best Research-Cell Efficiencies. https://www.nrel.gov/pv/interactive-cell-efficiency.html
  13. Y. Wang, Y. Meng, C. Liu, R. Cao, B. Han et al., Utilizing electrostatic dynamic bonds in zwitterion elastomer for self-curing of flexible perovskite solar cells. Joule (2024). https://doi.org/10.1016/j.joule.2024.01.021
  14. S.Y. Park, J.-S. Park, B.J. Kim, H. Lee, A. Walsh et al., Sustainable lead management in halide perovskite solar cells. Nat. Sustain. 3, 1044–1051 (2020). https://doi.org/10.1038/s41893-020-0586-6
  15. J.M. Ball, A. Petrozza, Defects in perovskite-halides and their effects in solar cells. Nat. Energy 1, 16149 (2016). https://doi.org/10.1038/nenergy.2016.149
  16. D. Luo, R. Su, W. Zhang, Q. Gong, R. Zhu, Minimizing non-radiative recombination losses in perovskite solar cells. Nat. Rev. Mater. 5, 44–60 (2020). https://doi.org/10.1038/s41578-019-0151-y
  17. C.M. Wolff, P. Caprioglio, M. Stolterfoht, D. Neher, Nonradiative recombination in perovskite solar cells: the role of interfaces. Adv. Mater. 31, 1902762 (2019). https://doi.org/10.1002/adma.201902762
  18. W. Xu, Y. Gao, W. Ming, F. He, J. Li et al., Suppressing defects-induced nonradiative recombination for efficient perovskite solar cells through green antisolvent engineering. Adv. Mater. 32, 2003965 (2020). https://doi.org/10.1002/adma.202003965
  19. X. Li, X. Wu, B. Li, Z. Cen, Y. Shang et al., Modulating the deep-level defects and charge extraction for efficient perovskite solar cells with high fill factor over 86%. Energy Environ. Sci. 15, 4813–4822 (2022). https://doi.org/10.1039/d2ee02543d
  20. R. Su, Z. Xu, J. Wu, D. Luo, Q. Hu et al., Dielectric screening in perovskite photovoltaics. Nat. Commun. 12, 2479 (2021). https://doi.org/10.1038/s41467-021-22783-z
  21. W. Chu, Q. Zheng, O.V. Prezhdo, J. Zhao, W.A. Saidi, Low-frequency lattice phonons in halide perovskites explain high defect tolerance toward electron-hole recombination. Sci. Adv. 6, eaaw7453 (2020). https://doi.org/10.1126/sciadv.aaw7453
  22. X. Wu, M.T. Trinh, D. Niesner, H. Zhu, Z. Norman et al., Trap states in lead iodide perovskites. J. Am. Chem. Soc. 137, 2089–2096 (2015). https://doi.org/10.1021/ja512833n
  23. X. Gong, O. Voznyy, A. Jain, W. Liu, R. Sabatini et al., Electron–phonon interaction in efficient perovskite blue emitters. Nat. Mater. 17, 550–556 (2018). https://doi.org/10.1038/s41563-018-0081-x
  24. L.D. Whalley, P. van Gerwen, J.M. Frost, S. Kim, S.N. Hood et al., Giant Huang–rhys factor for electron capture by the iodine intersitial in perovskite solar cells. J. Am. Chem. Soc. 143, 9123–9128 (2021). https://doi.org/10.1021/jacs.1c03064
  25. R. Shi, R. Long, W.-H. Fang, O.V. Prezhdo, Rapid interlayer charge separation and extended carrier lifetimes due to spontaneous symmetry breaking in organic and mixed Organic-Inorganic Dion–Jacobson perovskites. J. Am. Chem. Soc. 145, 5297–5309 (2023). https://doi.org/10.1021/jacs.2c12903
  26. R. Shi, Z. Zhang, W.-H. Fang, R. Long, Charge localization control of electron–hole recombination in multilayer two-dimensional Dion-Jacobson hybrid perovskites. J. Mater. Chem. A 8, 9168–9176 (2020). https://doi.org/10.1039/d0ta01944e
  27. Y. Liu, H. Zhou, Y. Ni, J. Guo, R. Lu et al., Revealing stability origin of Dion-Jacobson 2D perovskites with different-rigidity organic cations. Joule 7(5), 1016–1032 (2023). https://doi.org/10.1016/j.joule.2023.03.010
  28. J. Yang, X. Wen, H. Xia, R. Sheng, Q. Ma et al., Acoustic-optical phonon up-conversion and hot-phonon bottleneck in lead-halide perovskites. Nat. Commun. 8, 14120 (2017). https://doi.org/10.1038/ncomms14120
  29. J.P. Perdew, K. Burke, M. Ernzerhof, Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996). https://doi.org/10.1103/physrevlett.77.3865
  30. S. Grimme, J. Antony, S. Ehrlich, H. Krieg, 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). https://doi.org/10.1063/1.3382344
  31. S. Grimme, S. Ehrlich, L. Goerigk, Effect of the damping function in dispersion corrected density functional theory. J. Comput. Chem. 32, 1456–1465 (2011). https://doi.org/10.1002/jcc.21759
  32. S. Wang, Y. Liu, J. Zou, J. Jin, Y. Jiang et al., Intermediate phase assisted sequential deposition of reverse-graded quasi-2D alternating cation perovskites for MA-free perovskite solar cells. InfoMat 5, e12396 (2023). https://doi.org/10.1002/inf2.12396
  33. B. Han, Y. Wang, C. Liu, K. Sun, M. Yang et al., Rational design of ferroelectric 2D perovskite for improving the efficiency of flexible perovskite solar cells over 23%. Angew. Chem. Int. Ed. 62, 2217526 (2023). https://doi.org/10.1002/anie.202217526
  34. C. Liu, Z. Fang, J. Sun, M. Shang, K. Zheng et al., Donor-acceptor-donor type organic spacer for regulating the quantum wells of Dion-Jacobson 2D perovskites. Nano Energy 93, 106800 (2022). https://doi.org/10.1016/j.nanoen.2021.106800
  35. J. Wu, S.-C. Liu, Z. Li, S. Wang, D.-J. Xue et al., Strain in perovskite solar cells: origins, impacts and regulation. Natl. Sci. Rev. 8, 047 (2021). https://doi.org/10.1093/nsr/nwab047
  36. D.-J. Xue, Y. Hou, S.-C. Liu, M. Wei, B. Chen et al., Regulating strain in perovskite thin films through charge-transport layers. Nat. Commun. 11, 1514 (2020). https://doi.org/10.1038/s41467-020-15338-1
  37. C. Zhu, X. Niu, Y. Fu, N. Li, C. Hu et al., Strain engineering in perovskite solar cells and its impacts on carrier dynamics. Nat. Commun. 10, 815 (2019). https://doi.org/10.1038/s41467-019-08507-4
  38. E.A. Duijnstee, B.M. Gallant, P. Holzhey, D.J. Kubicki, S. Collavini et al., Understanding the degradation of methylenediammonium and its role in phase-stabilizing formamidinium lead triiodide. J. Am. Chem. Soc. 145, 10275–10284 (2023). https://doi.org/10.1021/jacs.3c01531
  39. P.K. Nayak, D.T. Moore, B. Wenger, S. Nayak, A.A. Haghighirad et al., Mechanism for rapid growth of organic–inorganic halide perovskite crystals. Nat. Commun. 7, 13303 (2016). https://doi.org/10.1038/ncomms13303
  40. C.C. Stoumpos, D.H. Cao, D.J. Clark, J. Young, J.M. Rondinelli et al., Ruddlesden–popper hybrid lead iodide perovskite 2D homologous semiconductors. Chem. Mater. 28, 2852–2867 (2016). https://doi.org/10.1021/acs.chemmater.6b00847
  41. G. Liu, J. Gong, L. Kong, R.D. Schaller, Q. Hu et al., Isothermal pressure-derived metastable states in 2D hybrid perovskites showing enduring bandgap narrowing. Proc. Natl. Acad. Sci. U.S.A. 115, 8076–8081 (2018). https://doi.org/10.1073/pnas.1809167115
  42. S. Guo, Y. Zhao, K. Bu, Y. Fu, H. Luo et al., Pressure-suppressed carrier trapping leads to enhanced emission in two-dimensional perovskite (HA)2(GA)Pb2I7. Angew. Chem. Int. Ed. 59, 17533–17539 (2020). https://doi.org/10.1002/anie.202001635
  43. S. Guo, K. Bu, J. Li, Q. Hu, H. Luo et al., Enhanced photocurrent of all-inorganic two-dimensional perovskite Cs2PbI2Cl2 via pressure-regulated excitonic features. J. Am. Chem. Soc. 143, 2545–2551 (2021). https://doi.org/10.1021/jacs.0c11730
  44. S. Guo, Y. Li, Y. Mao, W. Tao, K. Bu et al., Reconfiguring band-edge states and charge distribution of organic semiconductor-incorporated 2D perovskites via pressure gating. Sci. Adv. 8, eadd1984 (2022). https://doi.org/10.1126/sciadv.add1984
  45. A. Jaffe, Y. Lin, H.I. Karunadasa, Halide perovskites under pressure: accessing new properties through lattice compression. ACS Energy Lett. 2, 1549–1555 (2017). https://doi.org/10.1021/acsenergylett.7b00284
  46. H. Zhu, T. Cai, M. Que, J.-P. Song, B.M. Rubenstein et al., Pressure-induced phase transformation and band-gap engineering of formamidinium lead iodide perovskite nanocrystals. J. Phys. Chem. Lett. 9, 4199–4205 (2018). https://doi.org/10.1021/acs.jpclett.8b01852
  47. S. Jiang, Y. Luan, J.I. Jang, T. Baikie, X. Huang et al., Phase transitions of formamidinium lead iodide perovskite under pressure. J. Am. Chem. Soc. 140, 13952–13957 (2018). https://doi.org/10.1021/jacs.8b09316
  48. G. Feng, Y. Qin, C. Ran, L. Ji, L. Dong et al., Structural evolution and photoluminescence properties of a 2D hybrid perovskite under pressure. APL Mater. 6, 114201 (2018). https://doi.org/10.1063/1.5042645
  49. J. Fu, Q. Xu, G. Han, B. Wu, C.H.A. Huan et al., Hot carrier cooling mechanisms in halide perovskites. Nat. Commun. 8, 1300 (2017). https://doi.org/10.1038/s41467-017-01360-3
  50. M. Li, J. Fu, Q. Xu, T.C. Sum, Slow hot-carrier cooling in halide perovskites: prospects for hot-carrier solar cells. Adv. Mater. 31, 1802486 (2019). https://doi.org/10.1002/adma.201802486
  51. C.M. Iaru, J.J. Geuchies, P.M. Koenraad, D. Vanmaekelbergh, A.Y. Silov, Strong carrier–phonon coupling in lead halide perovskite nanocrystals. ACS Nano 11, 11024–11030 (2017). https://doi.org/10.1021/acsnano.7b05033
  52. K.K. Paul, J.-H. Kim, Y.H. Lee, Hot carrier photovoltaics in van der Waals heterostructures. Nat. Rev. Phys. 3, 178–192 (2021). https://doi.org/10.1038/s42254-020-00272-4
  53. P. Zeng, X. Ren, L. Wei, H. Zhao, X. Liu et al., Control of hot carrier relaxation in CsPbBr3 nanocrystals using damping ligands. Angew. Chem. Int. Ed. 61, 2111443 (2022). https://doi.org/10.1002/anie.202111443
  54. H. Zhao, H. Kalt, Energy-dependent huang-rhys factor of free excitons. Phys. Rev. B 68, 125309 (2003). https://doi.org/10.1103/physrevb.68.125309
  55. R. Heitz, I. Mukhametzhanov, O. Stier, A. Madhukar, D. Bimberg, Enhanced polar exciton-LO-phonon interaction in quantum dots. Phys. Rev. Lett. 83, 4654–4657 (1999). https://doi.org/10.1103/physrevlett.83.4654
  56. Q. Wei, J. Yin, O.M. Bakr, Z. Wang, C. Wang et al., Effect of zinc-doping on the reduction of the hot-carrier cooling rate in halide perovskites. Angew. Chem. Int. Ed. 60, 10957–10963 (2021). https://doi.org/10.1002/anie.202100099
  57. J. Yan, W. Zhang, S. Geng, C. Qiu, Y. Chu et al., Electronic state modulation by large A-site cations in quasi-two-dimensional organic–inorganic lead halide perovskites. Chem. Mater. 35, 289–294 (2023). https://doi.org/10.1021/acs.chemmater.2c03189
  58. J.W.M. Lim, D. Giovanni, M. Righetto, M. Feng, S.G. Mhaisalkar et al., Hot carriers in halide perovskites: how hot truly? J. Phys. Chem. Lett. 11, 2743–2750 (2020). https://doi.org/10.1021/acs.jpclett.0c00504
  59. C.A.R. Perini, A.-F. Castro-Mendez, T. Kodalle, M. Ravello, J. Hidalgo et al., Vapor-deposited n = 2 ruddlesden–popper interface layers aid charge carrier extraction in perovskite solar cells. ACS Energy Lett. 8, 1408–1415 (2023). https://doi.org/10.1021/acsenergylett.2c02419
  60. Y. Choi, D. Koo, G. Jeong, U. Kim, H. Kim et al., A vertically oriented two-dimensional Ruddlesden–Popper phase perovskite passivation layer for efficient and stable inverted perovskite solar cells. Energy Environ. Sci. 15, 3369–3378 (2022). https://doi.org/10.1039/d2ee00759b
  61. J.-W. Lee, Z. Dai, T.-H. Han, C. Choi, S.-Y. Chang et al., 2D perovskite stabilized phase-pure formamidinium perovskite solar cells. Nat. Commun. 9, 3021 (2018). https://doi.org/10.1038/s41467-018-05454-4
  62. Y.-W. Jang, S. Lee, K.M. Yeom, K. Jeong, K. Choi et al., Intact 2D/3D halide junction perovskite solar cells via solid-phase in-plane growth. Nat. Energy 6, 63–71 (2021). https://doi.org/10.1038/s41560-020-00749-7
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