应变控制对金属卤化物钙钛矿能带的影响研究
Research on the Effects of Strain Control on the Energy Bands of Metal Halide Perovskites
DOI: 10.12677/app.2025.156068, PDF,   
作者: 广东旭, 王晓华, 房 丹, 王 勇:长春理工大学物理学院,吉林 长春
关键词: 钙钛矿应变能带光电器件Perovskite Strain Band Optoelectronic Devices
摘要: 金属卤化物钙钛矿(MHPs)是一类具有优异光电性能的新型半导体材料,在光电器件方面取得了显著的成功。但由于钙钛矿本征结构不稳定,有机组分挥发性强,易发生离子迁移与相分离,缺陷态诱导降解等性质限制了其实际应用。近年来,应变工程被发现可有效改善钙钛矿材料的光电性质和器件性能,为钙钛矿材料器件性能的优化提供了新的研究视角,本文综述了应变的来源、表征技术、应变对卤化物钙钛矿能带的影响以及控制应变的各种策略。我们相信,这一综述将进一步促进研究人员对应变效应的更深入理解,并加强对应变工程的研究活动,以进一步提高性能,特别是器件的稳定性,从而实现商业化。
Abstract: Metal halide perovskites (MHPs) are a new class of semiconductor materials with excellent optoelectronic properties and have achieved remarkable success in optoelectronic devices. However, the practical application of perovskites is limited due to the instability of their intrinsic structure, the strong volatility of organic components, the propensity for ion migration and phase separation, and degradation induced by defect states. In recent years, it has been found that strain engineering can effectively improve the optoelectronic properties and device performance of perovskite materials, providing a new research perspective for the optimization of perovskite device performance. This review summarizes the sources of strain, characterization techniques, the impact of strain on the energy bands of halide perovskites, and various strategies to control strain. We believe that this review will further promote researchers’ deeper understanding of strain effects and strengthen their research activities in strain engineering to improve performance, particularly the stability of devices, for commercialization.
文章引用:广东旭, 王晓华, 房丹, 王勇. 应变控制对金属卤化物钙钛矿能带的影响研究[J]. 应用物理, 2025, 15(6): 628-638. https://doi.org/10.12677/app.2025.156068

参考文献

[1] Dale, P.J. and Scarpulla, M.A. (2023) Efficiency versus Effort: A Better Way to Compare Best Photovoltaic Research Cell Efficiencies? Solar Energy Materials and Solar Cells, 251, Article 112097. [Google Scholar] [CrossRef
[2] Feng, J., Gong, C., Gao, H., Wen, W., Gong, Y., Jiang, X., et al. (2018) Single-Crystalline Layered Metal-Halide Perovskite Nanowires for Ultrasensitive Photodetectors. Nature Electronics, 1, 404-410. [Google Scholar] [CrossRef
[3] Lin, K. (2018) Perovskite Light-Emitting Diodes with External Quantum Efficiency Exceeding 20 Percent. Nature, 562, 245-248.
[4] Eperon, G.E., Stranks, S.D., Menelaou, C., et al. (2014) Formamidinium Lead Trihalide: A Broadly Tunable Perovskite for Efficient Planar Heterojunction Solar Cells. Environmental Science, 7, 982-988.
[5] De Wolf, S., Holovsky, J., Moon, S., Löper, P., Niesen, B., Ledinsky, M., et al. (2014) Organometallic Halide Perovskites: Sharp Optical Absorption Edge and Its Relation to Photovoltaic Performance. The Journal of Physical Chemistry Letters, 5, 1035-1039. [Google Scholar] [CrossRef] [PubMed]
[6] Herz, L.M. (2017) Charge-Carrier Mobilities in Metal Halide Perovskites: Fundamental Mechanisms and Limits. ACS Energy Letters, 2, 1539-1548. [Google Scholar] [CrossRef
[7] Stranks, S.D., Eperon, G.E., Grancini, G., et al. (2013) Electron-Hole Diffusion Lengths Exceeding Micron in an Organometal Trihalide Perovskite Absorber. Science, 342, 341-344.
[8] Kim, J.Y., Lee, J., Jung, H.S., Shin, H. and Park, N. (2020) High-Efficiency Perovskite Solar Cells. Chemical Reviews, 120, 7867-7918. [Google Scholar] [CrossRef] [PubMed]
[9] Jung, M., Ji, S., Kim, G. and Seok, S.I. (2019) Perovskite Precursor Solution Chemistry: From Fundamentals to Photovoltaic Applications. Chemical Society Reviews, 48, 2011-2038. [Google Scholar] [CrossRef] [PubMed]
[10] Correa-Baena, J., Saliba, M., Buonassisi, T., Grätzel, M., Abate, A., Tress, W., et al. (2017) Promises and Challenges of Perovskite Solar Cells. Science, 358, 739-744. [Google Scholar] [CrossRef] [PubMed]
[11] Moloney, E.G., Yeddu, V. and Saidaminov, M.I. (2020) Strain Engineering in Halide Perovskites. ACS Materials Letters, 2, 1495-1508. [Google Scholar] [CrossRef
[12] Yu, H., Sun, Q., Zhang, T., Zhang, X., Shen, Y. and Wang, M. (2021) Is the Strain Responsible to Instability of Inorganic Perovskites and Their Photovoltaic Devices? Materials Today Energy, 19, Article 100601. [Google Scholar] [CrossRef
[13] Wu, C., Chen, K., Guo, D.Y., Wang, S.L. and Li, P.G. (2018) Cations Substitution Tuning Phase Stability in Hybrid Perovskite Single Crystals by Strain Relaxation. RSC Advances, 8, 2900-2905. [Google Scholar] [CrossRef] [PubMed]
[14] Dunfield, S.P., Bliss, L., Zhang, F., Luther, J.M., Zhu, K., van Hest, M.F.A.M., et al. (2020) From Defects to Degradation: A Mechanistic Understanding of Degradation in Perovskite Solar Cell Devices and Modules. Advanced Energy Materials, 10, Article 1904054. [Google Scholar] [CrossRef
[15] Liu, D., Zha, W., Guo, Y. and Sa, R. (2019) Insight into the Improved Phase Stability of CsPbI3 from First-Principles Calculations. ACS Omega, 5, 893-896. [Google Scholar] [CrossRef] [PubMed]
[16] Travis, W. (2016) On the Application of the Tolerance Factor to Inorganic and Hybrid Halide Perovskites: A Revised System. Chemical Science, 7, 4548-4556.
[17] Yang, B., Bogachuk, D., Suo, J., Wagner, L., Kim, H., Lim, J., et al. (2022) Strain Effects on Halide Perovskite Solar Cells. Chemical Society Reviews, 51, 7509-7530. [Google Scholar] [CrossRef] [PubMed]
[18] Wang, Y., Gao, L., Yang, Y., Xiang, Y., Chen, Z., Dong, Y., et al. (2018) Nontrivial Strength of Van Der Waals Epitaxial Interaction in Soft Perovskites. Physical Review Materials, 2, Article 076002. [Google Scholar] [CrossRef
[19] Moloney, E.G., Yeddu, V. and Saidaminov, M.I. (2020) Strain Engineering in Halide Perovskites. ACS Materials Letters, 2, 1495-1508. [Google Scholar] [CrossRef
[20] Wang, Y., Sun, X., Chen, Z., Cai, Z., Zhou, H., Lu, T., et al. (2018) Defect-Engineered Epitaxial VO2±δ in Strain Engineering of Heterogeneous Soft Crystals. Science Advances, 4, Article 10. [Google Scholar] [CrossRef] [PubMed]
[21] Rolston, N., Bush, K.A., Printz, A.D., Gold-Parker, A., Ding, Y., Toney, M.F., et al. (2018) Engineering Stress in Perovskite Solar Cells to Improve Stability. Advanced Energy Materials, 8, Article 1802139. [Google Scholar] [CrossRef
[22] Liu, S., Sun, S., Gan, C.K., del Águila, A.G., Fang, Y., Xing, J., et al. (2019) Manipulating Efficient Light Emission in Two-Dimensional Perovskite Crystals by Pressure-Induced Anisotropic Deformation. Science Advances, 5, Article 10. [Google Scholar] [CrossRef] [PubMed]
[23] Ghosh, D., Aziz, A., Dawson, J.A., Walker, A.B. and Islam, M.S. (2019) Putting the Squeeze on Lead Iodide Perovskites: Pressure-Induced Effects to Tune Their Structural and Optoelectronic Behavior. Chemistry of Materials, 31, 4063-4071. [Google Scholar] [CrossRef] [PubMed]
[24] Wang, C., Ma, L., Guo, D., Zhao, X., Zhou, Z., Lin, D., et al. (2020) Balanced Strain-Dependent Carrier Dynamics in Flexible Organic-Inorganic Hybrid Perovskites. Journal of Materials Chemistry C, 8, 3374-3379. [Google Scholar] [CrossRef
[25] Zhao, J., Deng, Y., Wei, H., Zheng, X., Yu, Z., Shao, Y., et al. (2017) Strained Hybrid Perovskite Thin Films and Their Impact on the Intrinsic Stability of Perovskite Solar Cells. Science Advances, 3, eaao5616. [Google Scholar] [CrossRef] [PubMed]
[26] Chen, B., Song, J., Dai, X., Liu, Y., Rudd, P.N., Hong, X., et al. (2019) Synergistic Effect of Elevated Device Temperature and Excess Charge Carriers on the Rapid Light-Induced Degradation of Perovskite Solar Cells. Advanced Materials, 31, Article 1902413. [Google Scholar] [CrossRef] [PubMed]
[27] Zhu, C., Niu, X., Fu, Y., Li, N., Hu, C., Chen, Y., et al. (2019) Strain Engineering in Perovskite Solar Cells and Its Impacts on Carrier Dynamics. Nature Communications, 10, Article No. 815. [Google Scholar] [CrossRef] [PubMed]
[28] Jones, T.W., Osherov, A., Alsari, M., Sponseller, M., Duck, B.C., Jung, Y., et al. (2019) Lattice Strain Causes Non-Radiative Losses in Halide Perovskites. Energy & Environmental Science, 12, 596-606. [Google Scholar] [CrossRef
[29] Jia, B.W., Tan, K.H., Loke, W.K., Wicaksono, S. and Yoon, S.F. (2017) Effects of Surface Reconstruction on the Epitaxial Growth of III-Sb on Gaas Using Interfacial Misfit Array. Applied Surface Science, 399, 220-228. [Google Scholar] [CrossRef
[30] Zhou, Y., Zhou, H., Deng, J., Cha, W. and Cai, Z. (2020) Decisive Structural and Functional Characterization of Halide Perovskites with Synchrotron. Matter, 2, 360-377. [Google Scholar] [CrossRef
[31] Shi, X., Burdet, N., Chen, B., Xiong, G., Streubel, R., Harder, R., et al. (2019) X-Ray Ptychography on Low-Dimensional Hard-Condensed Matter Materials. Applied Physics Reviews, 6, Article 011306. [Google Scholar] [CrossRef
[32] Doherty, T.A.S., Nagane, S., Kubicki, D.J., Jung, Y., Johnstone, D.N., Iqbal, A.N., et al. (2021) Stabilized Tilted-Octahedra Halide Perovskites Inhibit Local Formation of Performance-Limiting Phases. Science, 374, 1598-1605. [Google Scholar] [CrossRef] [PubMed]
[33] Adhyaksa, G.W.P., Brittman, S., Āboliņš, H., Lof, A., Li, X., Keelor, J.D., et al. (2018) Understanding Detrimental and Beneficial Grain Boundary Effects in Halide Perovskites. Advanced Materials, 30, Article 1804792. [Google Scholar] [CrossRef] [PubMed]
[34] Frohna, K., Anaya, M., Macpherson, S., Sung, J., Doherty, T.A.S., Chiang, Y., et al. (2021) Nanoscale Chemical Heterogeneity Dominates the Optoelectronic Response of Alloyed Perovskite Solar Cells. Nature Nanotechnology, 17, 190-196. [Google Scholar] [CrossRef] [PubMed]
[35] Adhyaksa, G.W.P., Veldhuizen, L.W., Kuang, Y., Brittman, S., Schropp, R.E.I. and Garnett, E.C. (2016) Carrier Diffusion Lengths in Hybrid Perovskites: Processing, Composition, Aging, and Surface Passivation Effects. Chemistry of Materials, 28, 5259-5263. [Google Scholar] [CrossRef
[36] Chen, Y., Lei, Y., Li, Y., Yu, Y., Cai, J., Chiu, M., et al. (2020) Strain Engineering and Epitaxial Stabilization of Halide Perovskites. Nature, 577, 209-215. [Google Scholar] [CrossRef] [PubMed]
[37] Jing, H., Sa, R. and Xu, G. (2019) Tuning Electronic and Optical Properties of CsPbI3 by Applying Strain: A First-Principles Theoretical Study. Chemical Physics Letters, 732, Article 136642. [Google Scholar] [CrossRef
[38] Liu, D., Li, Q., Jing, H. and Wu, K. (2019) Pressure-Induced Effects in the Inorganic Halide Perovskite CsGeI3. RSC Advances, 9, 3279-3284. [Google Scholar] [CrossRef] [PubMed]
[39] Tu, Q., Spanopoulos, I., Hao, S., Wolverton, C., Kanatzidis, M.G., Shekhawat, G.S., et al. (2019) Probing Strain-Induced Band Gap Modulation in 2D Hybrid Organic-Inorganic Perovskites. ACS Energy Letters, 4, 796-802. [Google Scholar] [CrossRef
[40] Islam, R., Islam, M.R., Taha, H. and Rahman, M.M. (2024) Controlling Structural, Electronic and Optical Properties of Cubic FaSnI3 Perovskites Using Biaxial Strains in the Presence of Spin Orbit Coupling: A DFT Analysis. Solid State Communications, 389, Article 115583. [Google Scholar] [CrossRef
[41] Li, Y., Tian, H., Li, N., Guo, J., Ling, X., Yuan, J., et al. (2024) Long-Range Strain in Lead Halide Perovskite Single Crystals. Crystal Growth & Design, 24, 4473-4480. [Google Scholar] [CrossRef
[42] Rahman, T.B., Rahman, M.M., Zumahi, S.A., Islam, M.R. and Rahman, M.M. (2024) Strain-Tuned Structural, Optoelectronic and Dielectric Properties of Cubic MaPbI3 Perovskite Driven by SOC Using First-Principles Theory. Solid State Communications, 394, article 115728. [Google Scholar] [CrossRef
[43] Liao, J., Tang, X., Zhang, L., Wu, J. and Tong, C. (2025) Strain Engineering of Two-Dimensional Hybrid Perovskites with Band Edge Modulation and Charge Separation. The Journal of Physical Chemistry Letters, 16, 4401-4409. [Google Scholar] [CrossRef] [PubMed]