journal article·2023-10

Multislip-enabled morphing of all-inorganic perovskites

Xiaocui Li, You Meng, Wanpeng Li, Jun Zhang, Chaoqun Dang, Heyi Wang, Shih-Wei Hung, Rong Fan, Fu-Rong Chen, Shijun Zhao, Johnny C. Ho, Yang Lu

Nature Materials· Volume 22· Issue 10
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Abstract

All-inorganic lead halide perovskites (CsPbX3, X = Cl, Br or I) are becoming increasingly important for energy conversion and optoelectronics because of their outstanding performance and enhanced environmental stability. Morphing perovskites into specific shapes and geometries without damaging their intrinsic functional properties is attractive for designing devices and manufacturing. However, inorganic semiconductors are often intrinsically brittle at room temperature, except for some recently reported layered or van der Waals semiconductors. Here, by in situ compression, we demonstrate that single-crystal CsPbX3 micropillars can be substantially morphed into distinct shapes (cubic, L and Z shapes, rectangular arches and so on) without localized cleavage or cracks. Such exceptional plasticity is enabled by successive slips of partial dislocations on multiple [Formula: see text] systems, as evidenced by atomic-resolution transmission electron microscopy and first-principles and atomistic simulations. The optoelectronic performance and bandgap of the devices were unchanged. Thus, our results suggest that CsPbX3 perovskites, as potential deformable inorganic semiconductors, may have profound implications for the manufacture of advanced optoelectronics and energy systems.
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Research context

OpenAlex topics: Perovskite Materials and Applications · Ferroelectric and Piezoelectric Materials · Thermal Expansion and Ionic Conductivity

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (45)

Show source-provided references
1. Oh, J. Y. et al. Intrinsically stretchable and healable semiconducting polymer for organic transistors. Nature 539, 411–415 (2016).10.1038/nature20102 ↗
2. Root, S. E., Savagatrup, S., Printz, A. D., Rodriquez, D. & Lipomi, D. J. Mechanical properties of organic semiconductors for stretchable, highly flexible, and mechanically robust electronics. Chem. Rev. 117, 6467–6499 (2017).10.1021/acs.chemrev.7b00003 ↗
3. Chen, H. et al. Room-temperature plastic inorganic semiconductors for flexible and deformable electronics. InfoMat 3, 22–35 (2021).10.1002/inf2.12149 ↗
4. Hertzberg, R. W., Vinci, R. P. & Hertzberg, J. L. Deformation and Fracture Mechanics of Engineering Materials (John Wiley & Sons, 2020).
5. Zhang, H. et al. Approaching the ideal elastic strain limit in silicon nanowires. Sci. Adv. 2, e1501382 (2016).10.1126/sciadv.1501382 ↗
6. Dang, C. et al. Achieving large uniform tensile elasticity in microfabricated diamond. Science 371, 76–78 (2021).10.1126/science.abc4174 ↗
7. Wei, B. et al. Size-dependent bandgap modulation of ZnO nanowires by tensile strain. Nano Lett. 12, 4595–4599 (2012).10.1021/nl301897q ↗
8. Li, X. et al. High elasticity of CsPbBr3 perovskite nanowires for flexible electronics. Nano Res. 14, 4033–4037 (2021).10.1007/s12274-021-3332-0 ↗
9. Chen, M. et al. Achieving micron-scale plasticity and theoretical strength in silicon. Nat. Commun. 11, 2681 (2020).
10. Zou, Y. & Spolenak, R. Size-dependent plasticity in micron- and submicron-sized ionic crystals. Philos. Mag. Lett. 93, 431–438 (2013).10.1080/09500839.2013.797616 ↗
11. Fujikane, M., Nagao, S., Chrobak, D., Yokogawa, T. & Nowak, R. Room-temperature plasticity of a nanosized GaN crystal. Nano Lett. 21, 6425–6431 (2021).10.1021/acs.nanolett.1c00773 ↗
12. Mathews, N. G., Saxena, A. K., Kirchlechner, C., Dehm, G. & Jaya, B. N. Effect of size and domain orientation on strength of barium titanate. Scr. Mater. 182, 68–73 (2020).10.1016/j.scriptamat.2020.02.039 ↗
13. Liu, Y. et al. Giant room temperature compression and bending in ferroelectric oxide pillars. Nat. Commun. 13, 335 (2022).
14. Yang, K. H., Ho, N. J. & Lu, H. Y. Plastic deformation of $$\langle001\rangle$$ single‐crystal SrTiO3 by compression at room temperature. J. Am. Ceram. Soc. 94, 3104–3111 (2011).10.1111/j.1551-2916.2011.04473.x ↗
15. Stich, S. et al. Room-temperature dislocation plasticity in SrTiO3 tuned by defect chemistry. J. Am. Ceram. Soc. 105, 1318–1329 (2022).10.1111/jace.18118 ↗
16. Li, Y. et al. Theoretical insights into the Peierls plasticity in SrTiO3 ceramics via dislocation remodelling. Nat. Commun. 13, 6925 (2022).
17. Gumbsch, P., Taeri-Baghbadrani, S., Brunner, D., Sigle, W. & Rühle, M. Plasticity and an inverse brittle-to-ductile transition in strontium titanate. Phys. Rev. Lett. 87, 085505 (2001).10.1103/PhysRevLett.87.085505 ↗
18. Oshima, Y., Nakamura, A. & Matsunaga, K. Extraordinary plasticity of an inorganic semiconductor in darkness. Science 360, 772–774 (2018).10.1126/science.aar6035 ↗
19. Shi, X. et al. Room-temperature ductile inorganic semiconductor. Nat. Mater. 17, 421–426 (2018).10.1038/s41563-018-0047-z ↗
20. Wei, T.-R. et al. Exceptional plasticity in the bulk single-crystalline van der Waals semiconductor InSe. Science 369, 542–545 (2020).10.1126/science.aba9778 ↗
21. Wang, H. et al. Orientation-dependent large plasticity of single-crystalline gallium selenide. Cell Rep. Phys. Sci. 3, 100816 (2022).10.1016/j.xcrp.2022.100816 ↗
22. Zhang, J., Hodes, G., Jin, Z. & Liu, S. All-inorganic CsPbX3 perovskite solar cells: progress and prospects. Angew. Chem. Int. Ed. 58, 15596–15618 (2019).10.1002/anie.201901081 ↗
23. Fu, Y. et al. Metal halide perovskite nanostructures for optoelectronic applications and the study of physical properties. Nat. Rev. Mater. 4, 169–188 (2019).10.1038/s41578-019-0080-9 ↗
24. Wang, Y. et al. Thermodynamically stabilized β-CsPbI3-based perovskite solar cells with efficiencies >18%. Science 365, 591–595 (2019).10.1126/science.aav8680 ↗
25. Meng, Y. et al. Direct vapor-liquid-solid synthesis of all-inorganic perovskite nanowires for high-performance electronics and optoelectronics. ACS Nano 13, 6060–6070 (2019).10.1021/acsnano.9b02379 ↗
26. Steele, J. A. et al. Thermal unequilibrium of strained black CsPbI3 thin films. Science 365, 679–684 (2019).10.1126/science.aax3878 ↗
27. Kilaas, R. Optimal and near-optimal filters in high-resolution electron microscopy. J. Microsc. 190, 45–51 (1998).10.1046/j.1365-2818.1998.3070861.x ↗
28. Greer, J. R., Oliver, W. C. & Nix, W. D. Size dependence of mechanical properties of gold at the micron scale in the absence of strain gradients. Acta Mater. 53, 1821–1830 (2005).10.1016/j.actamat.2004.12.031 ↗
29. Roknuzzaman, M., Ostrikov, K., Wang, H., Du, A. & Tesfamichael, T. Towards lead-free perovskite photovoltaics and optoelectronics by ab-initio simulations. Sci. Rep. 7, 14025 (2017).10.1038/s41598-017-13172-y ↗
30. Wang, Q., Wang, J., Li, J., Zhang, Z. & Mao, S. X. Consecutive crystallographic reorientations and superplasticity in body-centered cubic niobium nanowires. Sci. Adv. 4, eaas8850 (2018).10.1126/sciadv.aas8850 ↗
31. Hirel, P., Marton, P., Mrovec, M. & Elsässer, C. Theoretical investigation of {110} generalized stacking faults and their relation to dislocation behavior in perovskite oxides. Acta Mater. 58, 6072–6079 (2010).10.1016/j.actamat.2010.07.025 ↗
32. Zhao, S., Stocks, G. M. & Zhang, Y. Stacking fault energies of face-centered cubic concentrated solid solution alloys. Acta Mater. 134, 334–345 (2017).10.1016/j.actamat.2017.05.001 ↗
33. Wu, Z. & Curtin, W. A. The origins of high hardening and low ductility in magnesium. Nature 526, 62–67 (2015).10.1038/nature15364 ↗
34. Nakamura, A. et al. First-principles calculations on slip system activation in the rock salt structure: electronic origin of ductility in silver chloride. Philos. Mag. 97, 1281–1310 (2017).10.1080/14786435.2017.1294270 ↗
35. Caicedo-Dávila, S. et al. Spatial phase distributions in solution-based and evaporated Cs–Pb–Br thin films. J. Phys. Chem. C 123, 17666–17677 (2019).10.1021/acs.jpcc.9b02567 ↗
36. Zhou, Y., Sternlicht, H. & Padture, N. P. Transmission electron microscopy of halide perovskite materials and devices. Joule 3, 641–661 (2019).10.1016/j.joule.2018.12.011 ↗
37. Egerton, R. F., Li, P. & Malac, M. Radiation damage in the TEM and SEM. Micron 35, 399–409 (2004).10.1016/j.micron.2004.02.003 ↗
38. Wang, W. et al. Mixed-dimensional anti-ambipolar phototransistors based on 1D GaAsSb/2D MoS2 heterojunctions. ACS Nano 16, 11036–11048 (2022).10.1021/acsnano.2c03673 ↗
39. Plimpton, S. Fast parallel algorithms for short-range molecular dynamics. J. Comput. Phys. 117, 1–19 (1995).10.1006/jcph.1995.1039 ↗
40. Lai, M. et al. Intrinsic anion diffusivity in lead halide perovskites is facilitated by a soft lattice. Proc. Natl Acad. Sci. USA 115, 11929–11934 (2018).10.1073/pnas.1812718115 ↗
41. Mattoni, A., Filippetti, A. & Caddeo, C. Modeling hybrid perovskites by molecular dynamics. J. Phys. Condens. Matter 29, 043001 (2016).10.1088/1361-648X/29/4/043001 ↗
42. Nosé, S. A unified formulation of the constant temperature molecular dynamics methods. J. Chem. Phys. 81, 511–519 (1984).10.1063/1.447334 ↗
43. Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953 (1994).10.1103/PhysRevB.50.17953 ↗
44. Kresse, G. & Hafner, J. Ab initio molecular dynamics for liquid metals. Phys. Rev. B 47, 558 (1993).10.1103/PhysRevB.47.558 ↗
45. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865 (1996).10.1103/PhysRevLett.77.3865 ↗