Anomalous structural evolution and glassy lattice in mixed‐halide hybrid perovskites

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dc.contributor.authorShahrokhi, Sen_AU
dc.contributor.authorDubajic, Men_AU
dc.contributor.authorDai, ZZen_AU
dc.contributor.authorBhattacharyya, Sen_AU
dc.contributor.authorMole, RAen_AU
dc.contributor.authorRule, KCen_AU
dc.contributor.authorBhadbhade, MMen_AU
dc.contributor.authorTian, Ren_AU
dc.contributor.authorMussakhanuly, Nen_AU
dc.contributor.authorGuan, Xen_AU
dc.contributor.authorYin, Yen_AU
dc.contributor.authorNielsen, MPen_AU
dc.contributor.authorHu, Len_AU
dc.contributor.authorLin, CHen_AU
dc.contributor.authorChang, SLYen_AU
dc.contributor.authorWang, DYen_AU
dc.contributor.authorKabakova, IVen_AU
dc.contributor.authorConibeer, Gen_AU
dc.contributor.authorBremner, Sen_AU
dc.contributor.authorLi, XGen_AU
dc.contributor.authorCazorla, Cen_AU
dc.contributor.authorWu, Ten_AU
dc.date.accessioned2024-12-05T23:13:20Zen_AU
dc.date.available2024-12-05T23:13:20Zen_AU
dc.date.issued2022-05en_AU
dc.date.statistics2024-11-14en_AU
dc.description.abstractHybrid halide perovskites have emerged as highly promising photovoltaic materials because of their exceptional optoelectronic properties, which are often optimized via compositional engineering like mixing halides. It is well established that hybrid perovskites undergo a series of structural phase transitions as temperature varies. In this work, the authors find that phase transitions are substantially suppressed in mixed‐halide hybrid perovskite single crystals of MAPbI3‐xBrx (MA = CH3NH3+ and x = 1 or 2) using a complementary suite of diffraction and spectroscopic techniques. Furthermore, as a general behavior, multiple crystallographic phases coexist in mixed‐halide perovskites over a wide temperature range, and a slightly distorted monoclinic phase, hitherto unreported for hybrid perovskites, is dominant at temperatures above 100 K. The anomalous structural evolution is correlated with the glassy behavior of organic cations and optical phonons in mixed‐halide perovskites. This work demonstrates the complex interplay between composition engineering and lattice dynamics in hybrid perovskites, shedding new light on their unique properties. © 2022 The Authors. Small published by Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.en_AU
dc.description.sponsorshipC.C. acknowledged support from the Spanish Ministry of Science, Innovation, and Universities under the “Ramón y Cajal” fellowship RYC2018-024947-I. Computational resources and technical assistance were provided by the Australian Government and the Government of Western Australia through Magnus under the National Computational Merit Allocation Scheme and Pawsey Supercomputing Centre. The work at USTC was supported by NSFC (51790491). M.P.N. acknowledges support from the UNSW Scientia Program. I.V.K. acknowledges support from Australian Research Council through Discovery Program (DP190101973). M. D. acknowledges support by AINSE Limited through a PGRA award. All authors acknowledge beam time awarded by ANSTO through the proposal no. P8942 and thank Qiyuan Wu for his help with sample handling during neutron scattering experiments. Open access publishing facilitated by University of New South Wales, as part of the Wiley - University of New South Wales agreement via the Council of Australian University Librarians.en_AU
dc.format.mediumPrint-Electronicen_AU
dc.identifier.articlenumbere2200847en_AU
dc.identifier.citationShahrokhi, S., Dubajic, M., Dai, Z.-Z., Bhattacharyya, S., Mole, R. A., Rule, K. C., Bhadbhade, M., Tian, R., Mussakhanuly, N., Guan, X., Yin, Y., Nielsen, M. P., Hu, L., Lin, C.-H., Chang, S. L. Y., Wang, D., Kabakova, I. V., Conibeer, G., Bremner, S., Lim X.-G., Cazorla, C., & Wu, T. (2022). Anomalous structural evolution and glassy lattice in mixed‐halide hybrid perovskites. Small, 18(21), 2200847. doi:10.1002/smll.202200847en_AU
dc.identifier.issn1613-6810en_AU
dc.identifier.issn1613-6829en_AU
dc.identifier.issue21en_AU
dc.identifier.journaltitleSmallen_AU
dc.identifier.urihttps://doi.org/10.1002/smll.202200847en_AU
dc.identifier.urihttps://apo.ansto.gov.au/handle/10238/15792en_AU
dc.identifier.volume18en_AU
dc.languageEnglishen_AU
dc.language.isoenen_AU
dc.publisherWileyen_AU
dc.subjectPerovskitesen_AU
dc.subjectHalidesen_AU
dc.subjectMaterialsen_AU
dc.subjectTemperature rangeen_AU
dc.subjectCrystallographyen_AU
dc.subjectEvolutionen_AU
dc.subjectHybridizationen_AU
dc.subjectCrystal latticesen_AU
dc.subjectAbsorptionen_AU
dc.titleAnomalous structural evolution and glassy lattice in mixed‐halide hybrid perovskitesen_AU
dc.typeJournal Articleen_AU
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