Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites

Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.

doi:10.1021/jacs.8b08691

Title: Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites

Journal Article · Thu Sep 13 00:00:00 EDT 2018 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.8b08691· OSTI ID:1558000

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Northwestern Univ., Evanston, IL (United States)
Argonne National Lab. (ANL), Lemont, IL (United States)
Univ Rennes, Rennes (France)
Northwestern Univ., Evanston, IL (United States); Argonne National Lab. (ANL), Lemont, IL (United States)

Hybrid organic–inorganic halide perovskites are under intense investigations because of their astounding physical properties and promises for optoelectronics. Lead bromide and chloride perovskites exhibit intrinsic white-light emission believed to arise from self-trapped excitons (STEs). Here, we report a series of new structurally diverse hybrid lead bromide perovskites that have broad-band emission at room temperature. They feature Pb/Br structures which vary from 1D face-sharing structures to 3D corner- and edge-sharing structures. Through single-crystal X-ray diffraction and low-frequency Raman spectroscopy, we have identified the local distortion level of the octahedral environments of Pb²⁺ within the structures. The band gaps of these compounds range from 2.92 to 3.50 eV, following the trend of “corner-sharing < edge-sharing < face-sharing”. Density functional theory calculations suggest that the electronic structure is highly dependent on the connectivity mode of the PbBr₆ octahedra, where the edge- and corner-sharing 1D structure of (2,6-dmpz)₃Pb₂Br₁₀ exhibits more disperse bands and smaller band gap (2.49 eV) than the face-sharing 1D structure of (hep)PbBr₃ (3.10 eV). Using photoemission spectroscopy, we measured the energies of the valence band of these compounds and found them to remain almost constant, while the energy of conduction bands varies. Temperature-dependent PL measurements reveal that the 2D and 3D compounds have narrower PL emission at low temperature (~5 K), whereas the 1D compounds have both free exciton emission and STE emission. Furthermore, the 1D compound (2,6-dmpz)₃Pb₂Br₁₀ has the highest photoluminescence quantum yield of 12%, owing to its unique structure that allows efficient charge carrier relaxation and light emission.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States); Univ. of California, Santa Barbara, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF), Directorate for Geosciences Division of Earth Sciences (GEO/EAR); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

Grant/Contract Number:: AC02-06CH11357; SC0012541

OSTI ID:: 1558000

Alternate ID(s):: OSTI ID: 1599734

Journal Information:: Journal of the American Chemical Society, Vol. 140, Issue 40; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 267 works

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High-resolution remote thermometry and thermography using luminescent low-dimensional tin-halide perovskites Yakunin, Sergii; Benin, Bogdan M.; Shynkarenko, Yevhen Nature Materials, Vol. 18, Issue 8 https://doi.org/10.1038/s41563-019-0416-2	journal	July 2019
Intrinsic Self‐Trapped Emission in 0D Lead‐Free (C ₄ H ₁₄ N ₂ ) ₂ In ₂ Br ₁₀ Single Crystal Zhou, Lei; Liao, Jin‐Feng; Huang, Zeng‐Guang Angewandte Chemie International Edition, Vol. 58, Issue 43 https://doi.org/10.1002/anie.201907503	journal	October 2019
Size effect of lead-free halide double perovskite on luminescence property Han, Peigeng; Zhang, Xue; Mao, Xin Science China Chemistry, Vol. 62, Issue 10 https://doi.org/10.1007/s11426-019-9520-1	journal	July 2019
Locally collective hydrogen bonding isolates lead octahedra for white emission improvement Cui, Bin-Bin; Han, Ying; Huang, Bolong Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-13264-5	journal	November 2019
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A 3D Iodoplumbate Semiconducting Open Framework with Visible‐light‐induced Photocatalytic Performance Ge, Bang‐Di; Wei, Qi; Sun, Ai‐Huan Chemistry – An Asian Journal, Vol. 14, Issue 12 https://doi.org/10.1002/asia.201900392	journal	May 2019
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Luminescent perovskites: recent advances in theory and experiments Song, Zhen; Zhao, Jing; Liu, Quanlin Inorganic Chemistry Frontiers, Vol. 6, Issue 11 https://doi.org/10.1039/c9qi00777f	journal	January 2019
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(CH ₃ NH ₃ )AuX ₄ ⋅H ₂ O (X=Cl, Br) and (CH ₃ NH ₃ )AuCl ₄ : Low‐Band Gap Lead‐Free Layered Gold Halide Perovskite Materials Worley, Chris; Yangui, Aymen; Roccanova, Rachel Chemistry – A European Journal, Vol. 25, Issue 42 https://doi.org/10.1002/chem.201901112	journal	July 2019
Colloidal Synthesis and Optical Properties of All‐Inorganic Low‐Dimensional Cesium Copper Halide Nanocrystals Cheng, Pengfei; Sun, Lei; Feng, Lu Angewandte Chemie, Vol. 131, Issue 45 https://doi.org/10.1002/ange.201909129	journal	September 2019
Lead Halide Post‐Perovskite‐Type Chains for High‐Efficiency White‐Light Emission Gautier, Romain; Massuyeau, Florian; Galnon, Gabin Advanced Materials, Vol. 31, Issue 14 https://doi.org/10.1002/adma.201807383	journal	February 2019
Broadband white light emission from one-dimensional zigzag edge-sharing perovskite Jung, Mi-Hee New Journal of Chemistry, Vol. 44, Issue 1 https://doi.org/10.1039/c9nj04758a	journal	January 2020
Spintronics of Hybrid Organic–Inorganic Perovskites: Miraculous Basis of Integrated Optoelectronic Devices Liao, Kun; Hu, Xiaoyong; Cheng, Yinke Advanced Optical Materials, Vol. 7, Issue 15 https://doi.org/10.1002/adom.201900350	journal	June 2019
Ruddlesden–Popper Perovskites: Synthesis and Optical Properties for Optoelectronic Applications Gao, Xupeng; Zhang, Xiangtong; Yin, Wenxu Advanced Science, Vol. 6, Issue 22 https://doi.org/10.1002/advs.201900941	journal	October 2019
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Azetidinium as cation in lead mixed halide perovskite nanocrystals of optoelectronic quality Kesava, Sameer Vajjala; Hassan, Yasser; Privitera, Alberto AIP Advances, Vol. 10, Issue 2 https://doi.org/10.1063/1.5133042	journal	February 2020
All‐Inorganic CsCu ₂ I ₃ Single Crystal with High‐PLQY (≈15.7%) Intrinsic White‐Light Emission via Strongly Localized 1D Excitonic Recombination Lin, Richeng; Guo, Quanlin; Zhu, Qun Advanced Materials, Vol. 31, Issue 46 https://doi.org/10.1002/adma.201905079	journal	September 2019
Intrinsic Self‐Trapped Emission in 0D Lead‐Free (C ₄ H ₁₄ N ₂ ) ₂ In ₂ Br ₁₀ Single Crystal Zhou, Lei; Liao, Jin‐Feng; Huang, Zeng‐Guang Angewandte Chemie, Vol. 131, Issue 43 https://doi.org/10.1002/ange.201907503	journal	September 2019
Broadband white-light emission from supramolecular piperazinium-based lead halide perovskites linked by hydrogen bonds Jung, Mi-Hee; Ko, Kyoung Chul; Lee, Woo Ram Dalton Transactions, Vol. 48, Issue 40 https://doi.org/10.1039/c9dt03469b	journal	January 2019
A Highly Red-Emissive Lead-Free Indium-Based Perovskite Single Crystal for Sensitive Water Detection Zhou, Lei; Liao, Jin-Feng; Huang, Zeng-Guang Angewandte Chemie International Edition, Vol. 58, Issue 16 https://doi.org/10.1002/anie.201814564	journal	March 2019
Reversible Thermochromism and Strong Ferromagnetism in Two-Dimensional Hybrid Perovskites Sun, Bing; Liu, Xiao-Fei; Li, Xiang-Yang Angewandte Chemie International Edition, Vol. 59, Issue 1 https://doi.org/10.1002/anie.201910701	journal	November 2019

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