Real-Time Observation of Order-Disorder Transformation of Organic Cations Induced Phase Transition and Anomalous Photoluminescence in Hybrid Perovskites

Yang, Bin; Ming, Wenmei; Du, Mao-Hua; Keum, Jong K.; Puretzky, Alexander A.; Rouleau, Christopher M.; Huang, Jinsong; Geohegan, David B.; Wang, Xiaoping; Xiao, Kai

doi:10.1002/adma.201705801

Title: Real-Time Observation of Order-Disorder Transformation of Organic Cations Induced Phase Transition and Anomalous Photoluminescence in Hybrid Perovskites

Journal Article · 16 April 2018 · Advanced Materials

DOI: https://doi.org/10.1002/adma.201705801 · OSTI ID:1458381

Yang, Bin ^[1]; Ming, Wenmei ^[2]; Du, Mao-Hua ^[2]; Keum, Jong K. ^[3]; Puretzky, Alexander A. ^[4]; Rouleau, Christopher M. ^[4]; Huang, Jinsong ^[5]; Geohegan, David B. ^[4]; Wang, Xiaoping ^[6]; Xiao, Kai ^[4]

Hunan Univ., Changsha (China). College of Materials Science and Engineering, Key Lab. for Micro-Nano Physics and Technology of Hunan Province; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS)
Univ. of Nebraska, Lincoln, NE (United States). Dept. of Mechanical and Materials Engineering
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division

A fundamental understanding of the interplay between the microscopic structure and macroscopic optoelectronic properties of organic-inorganic hybrid perovskite materials is essential to design new materials and improve device performance. However, how exactly the organic cations affect the structural phase transition and optoelectronic properties of the materials is not well understood. Here, real-time, in situ temperature-dependent neutron/X-ray diffraction and photoluminescence (PL) measurements reveal a transformation of the organic cation CH₃NH₃ ⁺ from order to disorder with increasing temperature in CH₃NH₃PbBr₃ perovskites. The molecular-level order-to-disorder transformation of CH₃NH₃ + not only leads to an anomalous increase in PL intensity, but also results in a multidomain to single-domain structural transition. Lastly, this discovery establishes the important role that organic cation ordering has in dictating structural order and anomalous optoelectronic phenomenon in hybrid perovskites.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1458381

Journal Information:: Advanced Materials, Journal Name: Advanced Materials Journal Issue: 22 Vol. 30; ISSN 0935-9648

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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Dual phosphorescence from the organic and inorganic moieties of 1D hybrid perovskites of the Pb _n′ Br _4n′+2 series ( n ′ = 2, 3, 4, 5) Ben Haj Salah, Maroua; Mercier, Nicolas; Allain, Magali Journal of Materials Chemistry C, Vol. 7, Issue 15 https://doi.org/10.1039/c9tc00340a	journal	January 2019
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