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).

Article  CAS  PubMed  Google Scholar 

Dong, Q. et al. Electron-hole diffusion lengths >175 μm in solution-grown CH3NH3PbI3 single crystals. Science 347, 967–970 (2015).

Article  CAS  PubMed  Google Scholar 

Stranks, S. et al. Electron-hole diffusion lengths exceeding 1 micrometer in an organometal trihalide perovskite absorber. Science 342, 341–344 (2013).

Article  CAS  PubMed  Google Scholar 

Ball, J. M. & Petrozza, A. Defects in perovskite-halides and their effects in solar cells. Nat. Energy 1, 16149 (2016).

Article  CAS  Google Scholar 

Kim, H. S. et al. Lead iodide perovskite sensitized all-solid-state submicron thin film mesoscopic solar cell with efficiency exceeding 9. Sci. Rep. 2, 591 (2012).

Article  PubMed  PubMed Central  Google Scholar 

Lee, M. M., Teuscher, J., Miyasaka, T., Murakami, T. N. & Snaith, H. J. Efficient hybrid solar cells based on meso-superstructured organometal halide perovskites. Science 338, 643–647, (2012).

Article  CAS  PubMed  Google Scholar 

Min, H. et al. Perovskite solar cells with atomically coherent interlayers on SnO2 electrodes. Nature 598, 444–450 (2021).

Article  CAS  PubMed  Google Scholar 

Xu, W. et al. Rational molecular passivation for high-performance perovskite light-emitting diodes. Nat. Photon. 13, 418–424 (2019).

Article  CAS  Google Scholar 

Dong, Y. et al. Bipolar-shell resurfacing for blue LEDs based on strongly confined perovskite quantum dots. Nat. Nanotechnol. 15, 668–674 (2020).

Article  CAS  PubMed  Google Scholar 

Ma, D. et al. Distribution control enables efficient reduced-dimensional perovskite LEDs. Nature 599, 594–598 (2021).

Article  CAS  PubMed  Google Scholar 

Jiang, Y. et al. Synthesis-on-substrate of quantum dot solids. Nature 612, 679–684 (2022).

Article  CAS  PubMed  Google Scholar 

Jena, A. K., Kulkarni, A. & Miyasaka, T. Halide perovskite photovoltaics: background, status, and future prospects. Chem. Rev. 119, 3036–3103 (2019).

Article  CAS  PubMed  Google Scholar 

Jiang, J. et al. Synergistic strain engineering of perovskite single crystals for highly stable and sensitive X-ray detectors with low-bias imaging and monitoring. Nat. Photon. 16, 575–581 (2022).

Article  CAS  Google Scholar 

Moon, J., Mehta, Y., Gundogdu, K., So, F. & Gu, Q. Metal-halide perovskite lasers: cavity formation and emission characteristics. Adv. Mater. 36, 2211284 (2024).

Article  CAS  Google Scholar 

Bukke, R. N. et al. Strain relaxation and multidentate anchoring in n-type perovskite transistors and logic circuits. Nat. Electron. 7, 444–453 (2024).

Article  CAS  Google Scholar 

Prasanna, R. et al. Band gap tuning via lattice contraction and octahedral tilting in perovskite materials for photovoltaics. J. Am. Chem. Soc. 139, 11117–11124 (2017). The work demonstrates that octahedral tilt and the perovskite lattice distortion are the main reasons for the altered bandgaps in composition engineering, which demonstrates a strong correlation between perovskite bandgap variations and octahedral unit configuration.

Article  CAS  PubMed  Google Scholar 

Zhang, Y., Wang, J. & Ghosez, P. Unraveling the suppression of oxygen octahedra rotations in A3B2O7 Ruddlesden-Popper compounds: engineering multiferroicity and beyond. Phys. Rev. Lett. 125, 157601 (2020).

Article  CAS  PubMed  Google Scholar 

Doherty, T. A. S. et al. Stabilized tilted-octahedra halide perovskites inhibit local formation of performance-limiting phases. Science 374, 1598–1605 (2021). The work firstly reveals that in the lattice level, stable FA-rich perovskites are not ideal cubic phase, exhibiting ~2° octahedral tilt at room temperature. By using organic matrix template without cation alloying, ots-FAPbI3perovskite has been achieved, highlighting that the modulation of octahedral units is crucial for the stability of halide perovskites.

Article  CAS  PubMed  Google Scholar 

Mozur, E. M. & Neilson, J. R. Cation dynamics in hybrid halide perovskites. Annu. Rev. Mater. Res. 51, 269–291 (2021). The work reviews the temperature effect of cation dynamics on the phase stability and the origins of defect-tolerated electronic transport.

Article  CAS  Google Scholar 

Jin, J. et al. A new perspective and design principle for halide perovskites: ionic octahedron network (ION). Nano Lett. 21, 5415–5421 (2021).

Article  CAS  PubMed  Google Scholar 

Han, X.-B., Jing, C.-Q., Zu, H.-Y. & Zhang, W. Structural descriptors to correlate Pb ion displacement and broadband emission in 2D halide perovskites. J. Am. Chem. Soc. 144, 18595–18606 (2022).

Article  CAS  PubMed  Google Scholar 

Shao, Y. et al. Unlocking surface octahedral tilt in two-dimensional Ruddlesden-Popper perovskites. Nat. Commun. 13, 138 (2022).

Article  CAS  PubMed  PubMed Central  Google Scholar 

Ornelas-Cruz, I., dos Santos, R. M., González, J. E., Lima, M. P. & Da Silva, J. L. F. Cubic-to-hexagonal structural phase transition in metal halide compounds: a DFT study. J. Mater. Chem. A 12, 12564–12580 (2024).

Article  CAS  Google Scholar 

dos Santos, R. M., Ornelas−Cruz, I., Dias, A. C., Lima, M. P. & Da Silva, J. L. F. Theoretical investigation of the role of mixed A+ cations in the structure, stability, and electronic properties of perovskite alloys. ACS Appl. Energy Mater. 6, 5259–5273 (2023).

Article  Google Scholar 

Megaw, H. D. & Templeton, D. H. Crystal structures: a working approach. Phys. Today 27, 53–54 (1974).

Article  Google Scholar 

Glazer, A. The classification of tilted octahedra in perovskites. Acta Cryst. 28, 3384–3392 (1972).

Article  CAS  Google Scholar 

Howard, C. J. & Stokes, H. T. Group-theoretical analysis of octahedral tilting in perovskites. Acta Crystallogr. B Struct. Sci. 54, 782–789 (1998).

Article  Google Scholar 

Zhao, Y. & Zhu, K. Organic-inorganic hybrid lead halide perovskites for optoelectronic and electronic applications. Chem. Soc. Rev. 45, 655–689 (2016).

Article  CAS  PubMed  Google Scholar 

Zhou, Y. & Zhao, Y. Chemical stability and instability of inorganic halide perovskites. Energy Environ. Sci. 12, 1495–1511 (2019).

Article  CAS  Google Scholar 

Filip, M. R. & Giustino, F. The geometric blueprint of perovskites. Proc. Natl Acad. Sci. USA 115, 5397–5402 (2018).

Article  CAS  PubMed  PubMed Central  Google Scholar 

Sato, T., Takagi, S., Deledda, S., Hauback, B. C. & Orimo, S.-I. Extending the applicability of the Goldschmidt tolerance factor to arbitrary ionic compounds. Sci. Rep. 6, 23592 (2016).

Article  CAS  PubMed  PubMed Central  Google Scholar 

Travis, W., Glover, E., Bronstein, H., Scanlon, D. & Palgrave, R. J. C. S. On the application of the tolerance factor to inorganic and hybrid halide perovskites: a revised system. Chem. Sci. 7, 4548–4556 (2016).

Article  CAS  PubMed  PubMed Central  Google Scholar 

Bartel, C. J. et al. New tolerance factor to predict the stability of perovskite oxides and halides. Sci. Adv. 5, eaav0693 (2019).

Article  CAS  PubMed  PubMed Central  Google Scholar 

Filip, M. R., Eperon, G. E., Snaith, H. J. & Giustino, F. Steric engineering of metal-halide perovskites with tunable optical band gaps. Nat. Commun. 5, 5757 (2014).