[1] M M LEE, J TEUSCHER, T MIYASAKA et al. Efficient hybrid solar cells based on meso-superstructured organometal halide perovskites. Science, 643(2012).

[2] J BURSCHKA, N PELLET, S J MOON et al. Sequential deposition as a route to high-performance perovskite-sensitized solar cells. Nature, 499, 316(2013).

[3] M A GREEN, A HO-BAILLIE, H J SNAITH. The emergence of perovskite solar cells. Nature Photonics, 8, 506(2014).

[4] N J JEON, J H NOH, W S YANG et al. Compositional engineering of perovskite materials for high-performance solar cells. Nature, 517, 476(2015).

[5] M SALIBA, T MATSUI, K DOMANSKI et al. Incorporation of rubidium cations into perovskite solar cells improves photovoltaic performance. Science, 354, 206(2016).

[6] D P MCMEEKIN, G SADOUGHI, W REHMAN et al. A mixed- cation lead mixed-halide perovskite absorber for tandem solar cells. Science, 351, 151(2016).

[7] A KOJIMA, K TESHIMA, Y SHIRAI et al. Organometal halide perovskites as visible-light sensitizers for photovoltaic cells. Journal of the American Chemical Society, 6050(2009).

[8] M LIU, M B JOHNSTON, H J SNAITH. Efficient planar heterojunction perovskite solar cells by vapour deposition. Nature, 501, 395(2013).

[9] . Best research-cell efficiency chart. https://www.nrel.gov/pv/cell-efficiency.html

[10] B A BELIKOVICH, I P PASHCHUK, N S PIDZYRAILO. Luminescence of CsPbCl₃ single-crystals. Optikai I Spectroskopiya, 113(1977).

[11] M ERA, S MORIMOTO, T TSUTSUI et al. Organic-inorganic heterostructure electroluminescent device using a layered perovskite semiconductor (C₆H₅C₂H₄NH₃)₂PbI₄. Applied Physics Letters, 65, 676(1994).

[12] Z K TAN, R S MOGHADDAM, M L LAI et al. Bright light-emitting diodes based on organometal halide perovskite. Nature Nanotechnology, 9, 687(2014).

[13] K LIN, J XING, L N QUAN et al. Perovskite light-emitting diodes with external quantum efficiency exceeding 20 percent. Nature, 562, 245(2018).

[14] Y CAO, N WANG, H TIAN et al. Perovskite light-emitting diodes based on spontaneously formed submicrometre-scale structures. Nature, 562, 249(2018).

[15] S D STRANKS, H J SNAITH. Metal-halide perovskites for photovoltaic and light-emitting devices. Nature Nanotechnology, 10, 391(2015).

[16] Y FANG, Q DONG, Y SHAO et al. Highly narrowband perovskite single-crystal photodetectors enabled by surface-charge recombination. Nature Photonics, 9, 679(2015).

[17] L DOU, Y M YANG, J YOU et al. Solution-processed hybrid perovskite photodetectors with high detectivity. Nature Communications, 5404(2014).

[18] W J YIN, T SHI, Y YAN. Unusual defect physics in CH₃NH₃Pb₃ perovskite solar cell absorber. Applied Physics Letters, 104, 063903(2014).

[19] W YIN, T SHI, Y YAN. Unique properties of halide perovskites as possible origins of the superior solar cell performance. Advanced Materials, 26, 4653(2014).

[20] R E BRANDT, V STEVANOVIĆ, D S GINLEY et al. Identifying defect-tolerant semiconductors with high minority-carrier lifetimes: beyond hybrid lead halide perovskites. MRS Communications, 5, 265(2015).

[21] D MEGGIOLARO, S G MOTTI, E MOSCONI et al. Iodine chemistry determines the defect tolerance of lead-halide perovskites. Energy and Environmental Science, 11, 702(2018).

[22] R C KURCHIN, P GORAI, T BUONASSISI et al. Structural and chemical features giving rise to defect tolerance of binary semiconductors. Chemistry of Materials, 30, 5583(2018).

[23] J S PARK, S KIM, Z XIE et al. Point defect engineering in thin-film solar cells. Nature Reviews Materials, 3, 194(2018).

[24] J KANG, L WANG. High defect tolerance in lead halide perovskite CsPbBr₃. The Journal of Physical Chemistry Letters, 489(2017).

[25] C MING, H WANG, D WEST et al. Defect tolerance in CsPbI₃: reconstruction of potential energy landscape and band degeneracy in spin-orbit coupling. Journal of Materials Chemistry A, 10, 3018(2022).

[26] M L AGIORGOUSIS, Y Y SUN, H ZENG et al. Strong covalency-induced recombination centers in perovskite solar cell material CH₃NH₃PbI₃. Journal of the American Chemical Society, 136, 14570(2014).

[27] X W WU, C MING, J SHI et al. Defects in statically unstable solids: the case for cubic perovskite α-CsPbI₃. Chinese Physics Letters, 39, 046101(2022).

[28] A J NEUKIRCH, W NIE, J C BLANCON et al. Polaron stabilization by cooperative lattice distortion and cation rotations in hybrid perovskite materials. Nano Letters, 16, 3809(2016).

[29] Y GAO, T LUO, Y XIA et al. The joint effect of spin-orbit coupling and atomistic disorder on bandgap evolution in inorganic CsSn_1-xPb_xI₃ mixed perovskite. Journal of Applied Physics, 131, 055107(2022).

[30] E MOSCONI, B MERABET, D MEGGIOLARO et al. First-principles modeling of bismuth doping in the MAPbI₃ perovskite. Journal of Physical Chemistry C, 122, 14107(2018).

[31] T BISCHOFF, J WIKTOR, W CHEN et al. Nonempirical hybrid functionals for band gaps of inorganic metal-halide perovskites. Physical Review Materials, 3, 123802(2019).

[32] S TAO, I SCHMIDT, G BROCKS et al. Absolute energy level positions in tin- and lead-based halide perovskites. Nature Communications, 2560(2019).

[33] A MAHATA, D MEGGIOLARO, F DE ANGELIS. From large to small polarons in lead, tin, and mixed lead-tin halide perovskites. Journal of Physical Chemistry Letters, 10, 1790(2019).

[34] J WANG, J ZHANG, Y ZHOU et al. Highly efficient all-inorganic perovskite solar cells with suppressed non-radiative recombination by a lewis base. Nature Communications, 177(2020).

[35] C LIU, C IGCI, Y YANG et al. Dopant-free hole transport materials afford efficient and stable inorganic perovskite solar cells and modules. Angewandte Chemie International Edition, 60, 20489(2021).

[36] W KAISER, M CARIGNANO, A A ALOTHMAN et al. First-principles molecular dynamics in metal-halide perovskites: contrasting generalized gradient approximation and hybrid functionals. Journal of Physical Chemistry Letters, 12, 11886(2021).

[37] C VONA, D NABOK, C DRAXL. Electronic structure of (organic-)inorganic metal halide perovskites: the dilemma of choosing the right functional. Advanced Theory and Simulations, 5, 2100496(2022).

[38] D MEGGIOLARO, F DE ANGELIS. First-principles modeling of defects in lead halide perovskites: best practices and open issues. ACS Energy Letters, 3, 2206(2018).

[39] G E EPERON, G M PATERNÒ, R J SUTTON et al. Inorganic caesium lead iodide perovskite solar cells. Journal of Materials Chemistry A, 3, 19688(2015).

[40] A SWARNKAR, A R MARSHALL, E M SANEHIRA et al. Quantum dot-induced phase stabilization of α-CsPbI₃ perovskite for high-efficiency photovoltaics. Science, 354, 92(2016).

[41] S M YOON, H MIN, J B KIM et al. Surface engineering of ambient-air-processed cesium lead triiodide layers for efficient solar cells. Joule, 183(2021).

[42] P WANG, X ZHANG, Y ZHOU et al. Solvent-controlled growth of inorganic perovskite films in dry environment for efficient and stable solar cells. Nature Communications, 9:, 2225(2018).

[43] Y WANG, M I DAR, L K ONO et al. Thermodynamically stabilized β-CsPbI₃-based perovskite solar cells with efficiencies > 18%. Science, 365, 591(2019).

[44] B ZHAO, S F JIN, S HUANG et al. Thermodynamically stable orthorhombic γ-CsPbI₃ thin films for high-performance photovoltaics. Journal of the American Chemical Society, 140, 11716(2018).

[45] K WANG, Z JIN, L LIANG et al. Chlorine doping for black γ-CsPbI₃ solar cells with stabilized efficiency beyond 16%. Nano Energy, 175(2019).

[46] Z LI, M YANG, J S PARK et al. Stabilizing perovskite structures by tuning tolerance factor: formation of formamidinium and cesium lead iodide solid-state alloys. Chemistry of Materials, 28, 284(2016).

[47] Y WANG, Y CHEN, T ZHANG et al. Chemically stable black phase CsPbI₃ inorganic perovskites for high-efficiency photovoltaics. Advanced Materials, 32, 2001025(2020).

[48] W XIANG, S LIU, W TRESS et al. A review on the stability of inorganic metal halide perovskites: challenges and opportunities for stable solar cells. Energy & Environmental Science, 14, 2090(2021).

[49] Y CUI, J SHI, F MENG et al. A versatile molten-salt induction strategy to achieve efficient CsPbI₃ perovskite solar cells with a high open-circuit voltage >1.2 V. Advanced Materials, 34, 2205028(2022).

[50] G KRESSE, J FURTHMÜLLER. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane- wave basis set. Computational Materials Science, 15(1996).

[51] P. E. BLÖCHL. Projector augmented-wave method. Physical Review B, 50, 17953(1994).

[52] G KRESSE, D JOUBERT. From ultrasoft pseudopotentials to the projector augmented-wave method. Physical Review B, 1758(1999).

[53] X W WU, W GAO, J CHAI et al. Defect tolerance in chalcogenide perovskite photovoltaic material BaZrS₃. Science China Materials, 64, 2976(2021).

[54] X ZHANG, M E TURIANSKY, J X SHEN et al. Iodine interstitials as a cause of nonradiative recombination in hybrid perovskites. Physical Review B, 101, 140101(2020).

[55] J BANG, Y Y SUN, T A ABTEW et al. Difficulty in predicting shallow defects with hybrid functionals: implication of the long-range exchange interaction. Physical Review B, 88, 035134(2013).