Hybrid Dion–Jacobson 2D Lead Iodide Perovskites

Mao, Lingling; Ke, Weijun; Pedesseau, Laurent; Wu, Yilei; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.

doi:10.1021/jacs.8b00542

Hybrid Dion–Jacobson 2D Lead Iodide Perovskites

Journal Article · Wed Feb 21 00:00:00 EST 2018 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.8b00542· OSTI ID:1470389

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Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry
Univ. Rennes, Rennes (France); National Centre for Scientific Research (CNRS), Rennes (France)
Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry, and Argonne-Northwestern Solar Energy Research (ANSER) Center

The three-dimensional hybrid organic–inorganic perovskites have shown huge potential for use in solar cells and other optoelectronic devices. Although these materials are under intense investigation, derivative materials with lower dimensionality are emerging, offering higher tunability of physical properties and new capabilities. Here, we present two new series of hybrid two-dimensional (2D) perovskites that adopt the Dion–Jacobson (DJ) structure type, which are the first complete homologous series reported in halide perovskite chemistry. Lead iodide DJ perovskites adopt a general formula A'A_n–1PbnI₃n₊₁ (A' = 3-(aminomethyl)piperidinium (3AMP) or 4-(aminomethyl)piperidinium (4AMP), A = methylammonium (MA)). These materials have layered structures where the stacking of inorganic layers is unique as they lay exactly on top of another. With a slightly different position of the functional group in the templating cation 3AMP and 4AMP, the as-formed DJ perovskites show different optical properties, with the 3AMP series having smaller band gaps than the 4AMP series. Analysis on the crystal structures and density functional theory (DFT) calculations suggest that the origin of the systematic band gap shift is the strong but indirect influence of the organic cation on the inorganic framework. Fabrication of photovoltaic devices utilizing these materials as light absorbers reveals that (3AMP)(MA)₃Pb₄I₁₃ has the best power conversion efficiency (PCE) of 7.32%, which is much higher than that of the corresponding (4AMP)(MA)₃Pb₄I₁₃.

View Accepted Manuscript (DOE)

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Argonne-Northwestern Solar Energy Research Center (ANSER); Univ. of California, Santa Barbara, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

Grant/Contract Number:: SC0001059; SC0012541

OSTI ID:: 1470389

Alternate ID(s):: OSTI ID: 1599733

Journal Information:: Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 10 Vol. 140; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Highly Efficient Guanidinium‐Based Quasi 2D Perovskite Solar Cells via a Two‐Step Post‐Treatment Process Zhang, Yingzhu; Chen, Jiehuan; Lian, Xiaomei Small Methods, Vol. 3, Issue 11 https://doi.org/10.1002/smtd.201900375	journal	May 2019
Vertical Orientated Dion–Jacobson Quasi‐2D Perovskite Film with Improved Photovoltaic Performance and Stability Li, Fengzhu; Zhang, Jie; Jo, SaeByeok Small Methods, Vol. 4, Issue 5 https://doi.org/10.1002/smtd.201900831	journal	December 2019
Oriented and Uniform Distribution of Dion–Jacobson Phase Perovskites Controlled by Quantum Well Barrier Thickness Zheng, Yiting; Niu, Tingting; Qiu, Jian Solar RRL, Vol. 3, Issue 9 https://doi.org/10.1002/solr.201900090	journal	May 2019
The Role of Diammonium Cation on the Structural and Optoelectronic Properties in 3D Cesium–Formamidinium Mixed‐Cation Perovskite Solar Cells Xu, Xiuwen; Xie, Yue-Min; Ma, Yuhui Solar RRL, Vol. 3, Issue 8 https://doi.org/10.1002/solr.201900140	journal	May 2019
Solar‐Inspired Water Purification Based on Emerging 2D Materials: Status and Challenges Xie, Zhongjian; Peng, Ya-Pei; Yu, Li Solar RRL, Vol. 4, Issue 3 https://doi.org/10.1002/solr.201900400	journal	January 2020
Interlayer Cross‐Linked 2D Perovskite Solar Cell with Uniform Phase Distribution and Increased Exciton Coupling Wang, Han; Chan, Christopher C. S.; Chu, Ming Solar RRL, Vol. 4, Issue 4 https://doi.org/10.1002/solr.201900578	journal	April 2020
Recent advances in controlling the crystallization of two-dimensional perovskites for optoelectronic device Luo, Shi-Qiang; Wang, Ji-Fei; Yang, Bin Frontiers of Physics, Vol. 14, Issue 5 https://doi.org/10.1007/s11467-019-0901-8	journal	May 2019
Unraveling the mechanochemical synthesis and luminescence in MnII-based two-dimensional hybrid perovskite (C4H9NH3)2PbCl4 Zhou, Guojun; Guo, Shaoqiang; Zhao, Jing Science China Materials, Vol. 62, Issue 7 https://doi.org/10.1007/s40843-018-9404-4	journal	March 2019
Metal halide perovskite nanostructures for optoelectronic applications and the study of physical properties Fu, Yongping; Zhu, Haiming; Chen, Jie Nature Reviews Materials, Vol. 4, Issue 3 https://doi.org/10.1038/s41578-019-0080-9	journal	February 2019
Chemical stability and instability of inorganic halide perovskites Zhou, Yuanyuan; Zhao, Yixin Energy & Environmental Science, Vol. 12, Issue 5 https://doi.org/10.1039/c8ee03559h	journal	January 2019
Single pot synthesis of indirect band gap 2D CsPb ₂ Br ₅ nanosheets from direct band gap 3D CsPbBr ₃ nanocrystals and the origin of their luminescence properties Acharyya, Paribesh; Pal, Provas; Samanta, Pralok K. Nanoscale, Vol. 11, Issue 9 https://doi.org/10.1039/c8nr09349k	journal	January 2019
Tolerance factors of hybrid organic–inorganic perovskites: recent improvements and current state of research Burger, S.; Ehrenreich, M. G.; Kieslich, G. Journal of Materials Chemistry A, Vol. 6, Issue 44 https://doi.org/10.1039/c8ta05794j	journal	January 2018
Polymeric iodobismuthates {[Bi ₃ I ₁₀ ]} and {[BiI ₄ ]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A. Journal of Materials Chemistry A, Vol. 7, Issue 11 https://doi.org/10.1039/c8ta09204d	journal	January 2019
Low-dimensional emissive states in non-stoichiometric methylammonium lead halide perovskites Freestone, Benjamin G.; Smith, Joel A.; Piana, Giacomo Journal of Materials Chemistry A, Vol. 7, Issue 18 https://doi.org/10.1039/c8ta12184b	journal	January 2019
Enhanced yield-mobility products in hybrid halide Ruddlesden–Popper compounds with aromatic ammonium spacers Venkatesan, Naveen R.; Mahdi, Ali; Barraza, Brian Dalton Transactions, Vol. 48, Issue 37 https://doi.org/10.1039/c9dt03074c	journal	January 2019
Searching for stability at lower dimensions: current trends and future prospects of layered perovskite solar cells Thrithamarassery Gangadharan, Deepak; Ma, Dongling Energy & Environmental Science, Vol. 12, Issue 10 https://doi.org/10.1039/c9ee01591d	journal	January 2019
Organic intercalation engineering of quasi-2D Dion–Jacobson α-CsPbI ₃ perovskites Fang, Zhi; Shang, Minghui; Zheng, Yapeng Materials Horizons, Vol. 7, Issue 4 https://doi.org/10.1039/c9mh01788g	journal	January 2020
A two-dimensional bilayered Dion–Jacobson-type perovskite hybrid with a narrow bandgap for broadband photodetection Fu, Dongying; Yuan, Jianrong; Wu, Shichao Inorganic Chemistry Frontiers, Vol. 7, Issue 6 https://doi.org/10.1039/c9qi01540j	journal	January 2020
Aqueous acid-based synthesis of lead-free tin halide perovskites with near-unity photoluminescence quantum efficiency Wang, Aifei; Guo, Yanyan; Zhou, Zhaobo Chemical Science, Vol. 10, Issue 17 https://doi.org/10.1039/c9sc00453j	journal	January 2019
A photo-crosslinkable bis-triarylamine side-chain polymer as a hole-transport material for stable perovskite solar cells Tremblay, Marie-Hélène; Schutt, Kelly; Zhang, Yadong Sustainable Energy & Fuels, Vol. 4, Issue 1 https://doi.org/10.1039/c9se00513g	journal	January 2020
Unique characteristics of 2D Ruddlesden–Popper (2DRP) perovskite for future photovoltaic application Zheng, Yiting; Niu, Tingting; Ran, Xueqin Journal of Materials Chemistry A, Vol. 7, Issue 23 https://doi.org/10.1039/c9ta03217g	journal	January 2019
Lead-free low-dimensional tin halide perovskites with functional organic spacers: breaking the charge-transport bottleneck Ju, Ming-Gang; Dai, Jun; Ma, Liang Journal of Materials Chemistry A, Vol. 7, Issue 28 https://doi.org/10.1039/c9ta04486h	journal	January 2019
Skillfully deflecting the question: a small amount of piperazine-1,4-diium iodide radically enhances the thermal stability of CsPbI ₃ perovskite Wang, Hailiang; Xiang, Sisi; Li, Weiping Journal of Materials Chemistry C, Vol. 7, Issue 38 https://doi.org/10.1039/c9tc03576a	journal	January 2019
Exciton-band tuning induced by the width of the cation in 2D lead iodide perovskite hybrids Tremblay, Marie-Hélène; Bacsa, John; Barlow, Stephen Materials Chemistry Frontiers https://doi.org/10.1039/d0qm00118j	journal	January 2020
Asymmetric alkyl diamine based Dion–Jacobson low-dimensional perovskite solar cells with efficiency exceeding 15% Zhao, Weidong; Dong, Qingshun; Zhang, Jiangwei Journal of Materials Chemistry A, Vol. 8, Issue 19 https://doi.org/10.1039/d0ta02706e	journal	January 2020
Structural and thermodynamic limits of layer thickness in 2D halide perovskites Soe, Chan Myae Myae; Nagabhushana, G. P.; Shivaramaiah, Radha Proceedings of the National Academy of Sciences, Vol. 116, Issue 1 https://doi.org/10.1073/pnas.1811006115	journal	December 2018
The templating effect of 1,2-cyclohexanediamine configuration on iodoplumbate organic–inorganic hybrid structures Zhang, Xiuxiu; Wei, Zhenhong; Cao, Yuwen Journal of Coordination Chemistry, Vol. 73, Issue 3 https://doi.org/10.1080/00958972.2020.1737863	journal	February 2020
DFT study of electronic structure and optical properties of layered two-dimensional CH ₃ NH ₃ PbX ₃ (X=Cl, Br, I) Faghihnasiri, Mahdi; Izadifard, Morteza; Ghazi, Mohammad Ebrahim Energy Sources, Part A: Recovery, Utilization, and Environmental Effects, Vol. 41, Issue 22 https://doi.org/10.1080/15567036.2019.1568645	journal	January 2019
Dual excitonic emissions and structural phase transition of octylammonium lead iodide 2D layered perovskite single crystal Sheikh, Tariq; Shinde, Aparna; Mahamuni, Shailaja Materials Research Express, Vol. 6, Issue 12 https://doi.org/10.1088/2053-1591/ab53a1	journal	November 2019
Hyperbolic Dispersion Arising from Anisotropic Excitons in Two-Dimensional Perovskites Guo, Peijun; Huang, Wei; Stoumpos, Constantinos C. Physical Review Letters, Vol. 121, Issue 12 https://doi.org/10.1103/physrevlett.121.127401	journal	September 2018
The templating effect of 1,2-cyclohexanediamine configuration on iodoplumbate organic–inorganic hybrid structures Zhang, Xiuxiu; Wei, Zhenhong; Cao, Yuwen Taylor & Francis https://doi.org/10.6084/m9.figshare.12029730	text	January 2020
The templating effect of 1,2-cyclohexanediamine configuration on iodoplumbate organic–inorganic hybrid structures Zhang, Xiuxiu; Wei, Zhenhong; Cao, Yuwen Taylor & Francis https://doi.org/10.6084/m9.figshare.12029730.v1	text	January 2020

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14 SOLAR ENERGY
36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
bio-inspired
catalysis (heterogeneous)
catalysis (homogeneous)
charge transport
defects
electrodes - solar
hydrogen and fuel cells
materials and chemistry by design
membrane
optics
photosynthesis (natural and artificial)
solar (fuels)
solar (photovoltaic)
spin dynamics
synthesis (novel materials)

CCDC 1831521: Experimental Crystal Structure Determination Mao, Lingling; Ke, Weijun; Pedesseau, Laurent https://doi.org/10.5517/ccdc.csd.cc1zgvbm The current record is supplemented by this dataset	dataset	January 2018
CCDC 1831522: Experimental Crystal Structure Determination Mao, Lingling; Ke, Weijun; Pedesseau, Laurent https://doi.org/10.5517/ccdc.csd.cc1zgvcn The current record is supplemented by this dataset	dataset	January 2018
CCDC 1831523: Experimental Crystal Structure Determination Mao, Lingling; Ke, Weijun; Pedesseau, Laurent https://doi.org/10.5517/ccdc.csd.cc1zgvdp The current record is supplemented by this dataset	dataset	January 2018
CCDC 1831524: Experimental Crystal Structure Determination Mao, Lingling; Ke, Weijun; Pedesseau, Laurent https://doi.org/10.5517/ccdc.csd.cc1zgvfq The current record is supplemented by this dataset	dataset	January 2018
CCDC 1831525: Experimental Crystal Structure Determination Mao, Lingling; Ke, Weijun; Pedesseau, Laurent https://doi.org/10.5517/ccdc.csd.cc1zgvgr The current record is supplemented by this dataset	dataset	January 2018
CCDC 1831526: Experimental Crystal Structure Determination Mao, Lingling; Ke, Weijun; Pedesseau, Laurent https://doi.org/10.5517/ccdc.csd.cc1zgvhs The current record is supplemented by this dataset	dataset	January 2018
CCDC 1831527: Experimental Crystal Structure Determination Mao, Lingling; Ke, Weijun; Pedesseau, Laurent https://doi.org/10.5517/ccdc.csd.cc1zgvjt The current record is supplemented by this dataset	dataset	January 2018
CCDC 1831528: Experimental Crystal Structure Determination Mao, Lingling; Ke, Weijun; Pedesseau, Laurent https://doi.org/10.5517/ccdc.csd.cc1zgvkv The current record is supplemented by this dataset	dataset	January 2018

Hybrid Dion–Jacobson 2D Lead Iodide Perovskites

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