Comprehensive defect suppression in perovskite nanocrystals for high-efficiency light-emitting diodes (2024)

Tan, Z.-K. et al. Bright light-emitting diodes based on organometal halide perovskite. Nat. Nanotechnol. 9, 687–692 (2014).

Article ADS Google Scholar

Kim, Y.-H. et al. Multicolored organic/inorganic hybrid perovskite light-emitting diodes. Adv. Mater. 27, 1248–1254 (2015).

Article Google Scholar

Cho, H. et al. Overcoming the electroluminescence efficiency limitations of perovskite light-emitting diodes. Science 350, 1222–1225 (2015).

Article ADS Google Scholar

Protesescu, L. et al. 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 (2015).

Article ADS Google Scholar

Schmidt, L. C. et al. Nontemplate synthesis of CH₃NH₃PbBr₃ perovskite nanoparticles. J. Am. Chem. Soc. 136, 850–853 (2014).

Article Google Scholar

Kim, Y.-H., Cho, H. & Lee, T.-W. Metal halide perovskite light emitters. Proc. Natl Acad. Sci. USA 113, 11694–11702 (2016).

Article ADS Google Scholar

Kim, Y.-H., Kim, J. S. & Lee, T.-W. Strategies to improve luminescence efficiency of metal‐halide perovskites and light‐emitting diodes. Adv. Mater. 31, 1804595 (2019).

Article Google Scholar

Koscher, B. A., Swabeck, J. K., Bronstein, N. D. & Alivisatos, A. P. Essentially trap-free CsPbBr₃ colloidal nanocrystals by postsynthetic thiocyanate surface treatment. J. Am. Chem. Soc. 139, 6566–6569 (2017).

Article Google Scholar

De Roo, J. et al. Highly dynamic ligand binding and light absorption coefficient of cesium lead bromide perovskite nanocrystals. ACS Nano 10, 2071–2081 (2016).

Article Google Scholar

Wang, H.-C. et al. High-performance CsPb_1−xSn_xBr₃ perovskite quantum dots for light-emitting diodes. Angew. Chem. Int. Ed. 129, 13838–13842 (2017).

Article Google Scholar

Chiba, T. et al. Anion-exchange red perovskite quantum dots with ammonium iodine salts for highly efficient light-emitting devices. Nat. Photon. 12, 681–687 (2018).

Article ADS Google Scholar

Song, J. et al. Organic–inorganic hybrid passivation enables perovskite QLEDs with an EQE of 16.48%. Adv. Mater. 30, 1805409 (2018).

Article Google Scholar

Park, M.-H. et al. Boosting efficiency in polycrystalline metal halide perovskite light-emitting diodes. ACS Energy Lett. 4, 1134–1149 (2019).

Article Google Scholar

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

Article ADS Google Scholar

Zhao, X. & Tan, Z.-K. Large-area near-infrared perovskite light-emitting diodes. Nat. Photon. 14, 215–218 (2020).

Article ADS Google Scholar

Yang, Y. et al. Comparison of recombination dynamics in CH₃NH₃PbBr₃ and CH₃NH₃PbI₃ perovskite films: influence of exciton binding energy. J. Phys. Chem. Lett. 6, 4688–4692 (2015).

Article Google Scholar

Stranks, S. D. et al. Recombination kinetics in organic-inorganic perovskites: excitons, free charge, and subgap states. Phys. Rev. Appl. 2, 034007 (2014).

Article ADS Google Scholar

Lin, K. et al. Perovskite light-emitting diodes with external quantum efficiency exceeding 20 per cent. Nature 562, 245–248 (2018).

Article ADS Google Scholar

Xiao, Z. et al. Efficient perovskite light-emitting diodes featuring nanometre-sized crystallites. Nat. Photon. 11, 108–115 (2017).

Article ADS Google Scholar

Zhao, B. et al. High-efficiency perovskite–polymer bulk heterostructure light-emitting diodes. Nat. Photon. 12, 783–789 (2018).

Article ADS Google Scholar

Cao, Y. et al. Perovskite light-emitting diodes based on spontaneously formed submicrometre-scale structures. Nature 562, 249–253 (2018).

Article ADS Google Scholar

Yang, X. et al. Efficient green light-emitting diodes based on quasi-two-dimensional composition and phase engineered perovskite with surface passivation. Nat. Commun. 9, 570 (2018).

Article ADS Google Scholar

Zhao, L. et al. Electrical stress influences the efficiency of CH₃NH₃PbI₃ perovskite light emitting devices. Adv. Mater. 29, 1605317 (2017).

Article Google Scholar

Chen, H. et al. High-efficiency formamidinium lead bromide perovskite nanocrystal-based light-emitting diodes fabricated via a surface defect self‐passivation strategy. Adv. Opt. Mater. 8, 1901390 (2020).

Article Google Scholar

Zhu, H. et al. Screening in crystalline liquids protects energetic carriers in hybrid perovskites. Science 353, 1409–1413 (2016).

Article ADS Google Scholar

Yang, Y. et al. Observation of a hot-phonon bottleneck in lead-iodide perovskites. Nat. Photon. 10, 53–59 (2016).

Article ADS Google Scholar

Zheng, F., Tan, L. Z., Liu, S. & Rappe, A. M. Rashba spin–orbit coupling enhanced carrier lifetime in CH₃NH₃PbI₃. Nano Lett. 15, 7794–7800 (2015).

Article ADS Google Scholar

Rappe, A. M., Grinberg, I. & Spanier, J. E. Getting a charge out of hybrid perovskites. Proc. Natl Acad. Sci. USA 114, 7191–7193 (2017).

Article ADS Google Scholar

Swarnkar, A. et al. Quantum dot-induced phase stabilization of α-CsPbI₃ perovskite for high-efficiency photovoltaics. Science 354, 92–95 (2016).

Article ADS Google Scholar

Banerjee, A., Chakraborty, S. & Ahuja, R. Bromination-induced stability enhancement with a multivalley optical response signature in guanidinium [C(NH₂)₃]⁺-based hybrid perovskite solar cells. J. Mater. Chem. A 5, 18561–18568 (2017).

Article Google Scholar

Giorgi, G., Fujisawa, J.-I., Segawa, H. & Yamash*ta, K. Organic–inorganic hybrid lead iodide perovskite featuring zero dipole moment guanidinium cations: a theoretical analysis. J. Phys. Chem. C 119, 4694–4701 (2015).

Article Google Scholar

Jodlowski, A. D. et al. Large guanidinium cation mixed with methylammonium in lead iodide perovskites for 19% efficient solar cells. Nat. Energy 2, 972–979 (2017).

Article ADS Google Scholar

Marco, N. D. et al. Guanidinium: a route to enhanced carrier lifetime and open-circuit voltage in hybrid perovskite solar cells. Nano Lett. 16, 1009–1016 (2016).

Article ADS Google Scholar

Kanno, S., Imamura, Y. & Hada, M. First-principles calculations of the rotational motion and hydrogen bond capability of large organic cations in hybrid perovskites. J. Phys. Chem. C 122, 15966–15972 (2018).

Article Google Scholar

Kakekhani, A., Katti, R. N. & Rappe, A. M. Water in hybrid perovskites: bulk MAPbI₃ degradation via super-hydrous state. APL Mater. 7, 041112 (2019).

Article ADS Google Scholar

Yi, C. et al. Entropic stabilization of mixed A-cation ABX₃ metal halide perovskites for high performance perovskite solar cells. Energy Environ. Sci. 9, 656–662 (2016).

Article Google Scholar

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

Article Google Scholar

Pham, N. D. et al. Tailoring crystal structure of FA_0.83Cs_0.17PbI₃ perovskite through guanidinium doping for enhanced performance and tunable hysteresis of planar perovskite solar cells. Adv. Funct. Mater. 29, 1806479 (2019).

Article Google Scholar

Deng, Z., Kieslich, G., Bristowe, P. D., Cheetham, A. K. & Sun, S. Octahedral connectivity and its role in determining the phase stabilities and electronic structures of low-dimensional, perovskite-related iodoplumbates. APL Mater. 6, 114202 (2018).

Article ADS Google Scholar

Kakekhani, A. et al. Nature of lone-pair–surface bonds and their scaling relations. Inorg. Chem. 57, 7222–7238 (2018).

Article Google Scholar

Kim, Y.-H. et al. Highly efficient light-emitting diodes of colloidal metal–halide perovskite nanocrystals beyond quantum size. ACS Nano 11, 6586–6593 (2017).

Article Google Scholar

Contreras-García, J. et al. NCIPLOT: a program for plotting noncovalent interaction regions. J. Chem. Theory Comput. 7, 625–632 (2011).

Article Google Scholar

Giannozzi, P. et al. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J. Phys. Condens. Matter 21, 395502 (2009).

Article Google Scholar

Garrity, K. F., Bennett, J. W., Rabe, K. M. & Vanderbilt, D. Pseudopotentials for high-throughput DFT calculations. Comput. Mater. Sci. 81, 446–452 (2014).

Article Google Scholar

Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996).

Article ADS Google Scholar

Grimme, S., Antony, J., Ehrlich, S. & Krieg, H. 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).

Article ADS Google Scholar

Wang, Y. et al. Density functional theory analysis of structural and electronic properties of orthorhombic perovskite CH₃NH₃PbI₃. Phys. Chem. Chem. Phys. 16, 1424–1429 (2014).

Article Google Scholar

Marzari, N., Vanderbilt, D., De Vita, A. & Payne, M. C. Thermal contraction and disordering of the Al(110) surface. Phys. Rev. Lett. 82, 3296–3299 (1999).

Article ADS Google Scholar

Macrae, C. F. et al. Mercury CSD 2.0—new features for the visualization and investigation of crystal structures. J. Appl. Cryst. 41, 466–470 (2008).

Article Google Scholar

Jeong, S.-H. et al. Characterizing the efficiency of perovskite solar cells and light-emitting diodes. Joule 4, 1206–1235 (2020).

Article Google Scholar