Transformation from crystalline precursor to perovskite in PbCl2-derived MAPbI3

Stone, Kevin H.; Gold-Parker, Aryeh; Pool, Vanessa L.; Unger, Eva L.; Bowring, Andrea R.; McGehee, Michael D.; Toney, Michael F.; Tassone, Christopher J.

doi:10.1038/s41467-018-05937-4

Title: Transformation from crystalline precursor to perovskite in PbCl2-derived MAPbI3

Journal Article · Mon Aug 27 00:00:00 EDT 2018 · Nature Communications

DOI:https://doi.org/10.1038/s41467-018-05937-4· OSTI ID:1465603

; Gold-Parker, Aryeh; Pool, Vanessa L.; Unger, Eva L.; Bowring, Andrea R.; McGehee, Michael D.;

; Tassone, Christopher J.

Abstract Understanding the formation chemistry of metal halide perovskites is key to optimizing processing conditions and realizing enhanced optoelectronic properties. Here, we reveal the structure of the crystalline precursor in the formation of methylammonium lead iodide (MAPbI ₃ ) from the single-step deposition of lead chloride and three equivalents of methylammonium iodide (PbCl ₂ + 3MAI) (MA = CH ₃ NH ₃ ). The as-spun film consists of crystalline MA ₂ PbI ₃ Cl, which is composed of one-dimensional chains of lead halide octahedra, coexisting with disordered MACl. We show that the transformation of precursor into perovskite is not favored in the presence of MACl, and thus the gradual evaporation of MACl acts as a self-regulating mechanism to slow the conversion. We propose the stable precursor phase enables dense film coverage and the slow transformation may lead to improved crystal quality. This enhanced chemical understanding is paramount for the rational control of film deposition and the fabrication of superior optoelectronic devices.

View Journal Article

Cite

Export

Save

Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-76SF00515; DGE-1147470

OSTI ID:: 1465603

Alternate ID(s):: OSTI ID: 1461197

Journal Information:: Nature Communications, Journal Name: Nature Communications Vol. 9 Journal Issue: 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

Citation Metrics:

Cited by: 64 works

Citation information provided by
Web of Science

References (41)

ATHENA , ARTEMIS , HEPHAESTUS : data analysis for X-ray absorption spectroscopy using IFEFFIT Ravel, B.; Newville, M. Journal of Synchrotron Radiation, Vol. 12, Issue 4 https://doi.org/10.1107/S0909049505012719	journal	June 2005
Planar Heterojunction Perovskite Solar Cells via Vapor-Assisted Solution Process Chen, Qi; Zhou, Huanping; Hong, Ziruo Journal of the American Chemical Society, Vol. 136, Issue 2, p. 622-625 https://doi.org/10.1021/ja411509g	journal	December 2013
Nika : software for two-dimensional data reduction Ilavsky, Jan Journal of Applied Crystallography, Vol. 45, Issue 2 https://doi.org/10.1107/S0021889812004037	journal	March 2012
Perovskite Solar Cells on the Way to Their Radiative Efficiency Limit - Insights Into a Success Story of High Open-Circuit Voltage and Low Recombination Tress, Wolfgang Advanced Energy Materials, Vol. 7, Issue 14 https://doi.org/10.1002/aenm.201602358	journal	March 2017
6.5% efficient perovskite quantum-dot-sensitized solar cell Im, Jeong-Hyeok; Lee, Chang-Ryul; Lee, Jin-Wook Nanoscale, Vol. 3, Issue 10, p. 4088-4093 https://doi.org/10.1039/c1nr10867k	journal	January 2011
Hybrid Perovskite Thin-Film Photovoltaics: In Situ Diagnostics and Importance of the Precursor Solvate Phases Munir, Rahim; Sheikh, Arif D.; Abdelsamie, Maged Advanced Materials, Vol. 29, Issue 2 https://doi.org/10.1002/adma.201604113	journal	November 2016
Photo-induced halide redistribution in organic–inorganic perovskite films deQuilettes, Dane W.; Zhang, Wei; Burlakov, Victor M. Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms11683	journal	May 2016
Crystallization of Methyl Ammonium Lead Halide Perovskites: Implications for Photovoltaic Applications Tidhar, Yaron; Edri, Eran; Weissman, Haim Journal of the American Chemical Society, Vol. 136, Issue 38 https://doi.org/10.1021/ja505556s	journal	September 2014
Sequential deposition as a route to high-performance perovskite-sensitized solar cells Burschka, Julian; Pellet, Norman; Moon, Soo-Jin Nature, Vol. 499, Issue 7458, p. 316-319 https://doi.org/10.1038/nature12340	journal	July 2013
Elucidating the Reaction Pathways in the Synthesis of Organolead Trihalide Perovskite for High-Performance Solar Cells Wang, Baohua; Young Wong, King; Xiao, Xudong Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep10557	journal	May 2015
Iodide management in formamidinium-lead-halide–based perovskite layers for efficient solar cells Yang, Woon Seok; Park, Byung-Wook; Jung, Eui Hyuk Science, Vol. 356, Issue 6345 https://doi.org/10.1126/science.aan2301	journal	June 2017
Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells Kojima, Akihiro; Teshima, Kenjiro; Shirai, Yasuo Journal of the American Chemical Society, Vol. 131, Issue 17, p. 6050-6051 https://doi.org/10.1021/ja809598r	journal	May 2009
Solution-processed hybrid perovskite photodetectors with high detectivity Dou, Letian; Yang, Yang (Micheal); You, Jingbi Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms6404	journal	November 2014
Crystallization Kinetics of Organic–Inorganic Trihalide Perovskites and the Role of the Lead Anion in Crystal Growth Moore, David T.; Sai, Hiroaki; Tan, Kwan W. Journal of the American Chemical Society, Vol. 137, Issue 6 https://doi.org/10.1021/ja512117e	journal	February 2015
Defect migration in methylammonium lead iodide and its role in perovskite solar cell operation Azpiroz, Jon M.; Mosconi, Edoardo; Bisquert, Juan Energy & Environmental Science, Vol. 8, Issue 7 https://doi.org/10.1039/C5EE01265A	journal	January 2015
GSAS-II : the genesis of a modern open-source all purpose crystallography software package Toby, Brian H.; Von Dreele, Robert B. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813003531	journal	March 2013
Perovskite energy funnels for efficient light-emitting diodes Yuan, Mingjian; Quan, Li Na; Comin, Riccardo Nature Nanotechnology, Vol. 11, Issue 10 https://doi.org/10.1038/nnano.2016.110	journal	June 2016
Lead halide perovskite nanowire lasers with low lasing thresholds and high quality factors Zhu, Haiming; Fu, Yongping; Meng, Fei Nature Materials, Vol. 14, Issue 6 https://doi.org/10.1038/nmat4271	journal	April 2015
Highly Reproducible Perovskite Solar Cells with Average Efficiency of 18.3% and Best Efficiency of 19.7% Fabricated via Lewis Base Adduct of Lead(II) Iodide Ahn, Namyoung; Son, Dae-Yong; Jang, In-Hyuk Journal of the American Chemical Society, Vol. 137, Issue 27 https://doi.org/10.1021/jacs.5b04930	journal	July 2015
Electron-Hole Diffusion Lengths Exceeding 1 Micrometer in an Organometal Trihalide Perovskite Absorber Stranks, S. D.; Eperon, G. E.; Grancini, G. Science, Vol. 342, Issue 6156, p. 341-344 https://doi.org/10.1126/science.1243982	journal	October 2013
Controllable Grain Morphology of Perovskite Absorber Film by Molecular Self-Assembly toward Efficient Solar Cell Exceeding 17% Li, Wenzhe; Fan, Jiandong; Li, Jiangwei Journal of the American Chemical Society, Vol. 137, Issue 32 https://doi.org/10.1021/jacs.5b06444	journal	August 2015
A combined single crystal neutron/X-ray diffraction and solid-state nuclear magnetic resonance study of the hybrid perovskites CH ₃ NH ₃ PbX ₃ (X = I, Br and Cl) Baikie, Tom; Barrow, Nathan S.; Fang, Yanan Journal of Materials Chemistry A, Vol. 3, Issue 17 https://doi.org/10.1039/C5TA01125F	journal	January 2015
Relationships between Lead Halide Perovskite Thin-Film Fabrication, Morphology, and Performance in Solar Cells Sharenko, Alexander; Toney, Michael F. Journal of the American Chemical Society, Vol. 138, Issue 2 https://doi.org/10.1021/jacs.5b10723	journal	November 2015
Efficient planar heterojunction perovskite solar cells by vapour deposition Liu, Mingzhen; Johnston, Michael B.; Snaith, Henry J. Nature, Vol. 501, Issue 7467, p. 395-398 https://doi.org/10.1038/nature12509	journal	September 2013
Solvent engineering for high-performance inorganic–organic hybrid perovskite solar cells Jeon, Nam Joong; Noh, Jun Hong; Kim, Young Chan Nature Materials, Vol. 13, Issue 9, p. 897-903 https://doi.org/10.1038/nmat4014	journal	July 2014
Solvent engineering towards controlled grain growth in perovskite planar heterojunction solar cells Rong, Yaoguang; Tang, Zhongjia; Zhao, Yufeng Nanoscale, Vol. 7, Issue 24 https://doi.org/10.1039/C5NR02866C	journal	January 2015
Roadmap and roadblocks for the band gap tunability of metal halide perovskites Unger, E. L.; Kegelmann, L.; Suchan, K. Journal of Materials Chemistry A, Vol. 5, Issue 23 https://doi.org/10.1039/C7TA00404D	journal	January 2017
Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites Lee, M. M.; Teuscher, J.; Miyasaka, T. Science, Vol. 338, Issue 6107, p. 643-647 https://doi.org/10.1126/science.1228604	journal	October 2012
Retarding the crystallization of PbI ₂ for highly reproducible planar-structured perovskite solar cells via sequential deposition Wu, Yongzhen; Islam, Ashraful; Yang, Xudong Energy Environ. Sci., Vol. 7, Issue 9 https://doi.org/10.1039/C4EE01624F	journal	January 2014
Perovskite-based solar cells: impact of morphology and device architecture on device performance Salim, Teddy; Sun, Shuangyong; Abe, Yuichiro Journal of Materials Chemistry A, Vol. 3, Issue 17 https://doi.org/10.1039/C4TA05226A	journal	January 2015
Additive Enhanced Crystallization of Solution-Processed Perovskite for Highly Efficient Planar-Heterojunction Solar Cells Liang, Po-Wei; Liao, Chien-Yi; Chueh, Chu-Chen Advanced Materials, Vol. 26, Issue 22, p. 3748-3754 https://doi.org/10.1002/adma.201400231	journal	March 2014
Chlorine in PbCl ₂ -Derived Hybrid-Perovskite Solar Absorbers Pool, Vanessa L.; Gold-Parker, Aryeh; McGehee, Michael D. Chemistry of Materials, Vol. 27, Issue 21 https://doi.org/10.1021/acs.chemmater.5b03581	journal	October 2015
MAPbI_3-xCl_x Mixed Halide Perovskite for Hybrid Solar Cells: The Role of Chloride as Dopant on the Transport and Structural Properties Colella, Silvia; Mosconi, Edoardo; Fedeli, Paolo Chemistry of Materials, Vol. 25, Issue 22, p. 4613-4618 https://doi.org/10.1021/cm402919x	journal	November 2013
Monitoring the Formation of a CH ₃ NH ₃ PbI _3- _x Cl _x Perovskite during Thermal Annealing Using X-Ray Scattering Barrows, Alexander T.; Lilliu, Samuele; Pearson, Andrew J. Advanced Functional Materials, Vol. 26, Issue 27 https://doi.org/10.1002/adfm.201601309	journal	May 2016
THE CRYSTAL STRUCTURE OF LEAD(II) IODIDE-DIMETHYLSULPHOXIDE(1/2), PbI ₂ (dmso) ₂ Miyamae, Hiroshi; Numahata, Yoshinaho; Nagata, Miharu Chemistry Letters, Vol. 9, Issue 6 https://doi.org/10.1246/cl.1980.663	journal	June 1980
Chloride in Lead Chloride-Derived Organo-Metal Halides for Perovskite-Absorber Solar Cells Unger, Eva L.; Bowring, Andrea R.; Tassone, Christopher J. Chemistry of Materials, Vol. 26, Issue 24 https://doi.org/10.1021/cm503828b	journal	December 2014
Thermal Behavior of Methylammonium Lead-Trihalide Perovskite Photovoltaic Light Harvesters Dualeh, Amalie; Gao, Peng; Seok, Sang Il Chemistry of Materials, Vol. 26, Issue 21 https://doi.org/10.1021/cm502468k	journal	October 2014
Navigating Organo-Lead Halide Perovskite Phase Space via Nucleation Kinetics toward a Deeper Understanding of Perovskite Phase Transformations and Structure-Property Relationships Williams, Spencer T.; Chueh, Chu-Chen; Jen, Alex K. -Y. Small, Vol. 11, Issue 26 https://doi.org/10.1002/smll.201403651	journal	March 2015
Controlling Nucleation and Growth of Metal Halide Perovskite Thin Films for High-Efficiency Perovskite Solar Cells Sakai, Nobuya; Wang, Zhiping; Burlakov, Victor M. Small, Vol. 13, Issue 14 https://doi.org/10.1002/smll.201602808	journal	February 2017
Thermally Induced Structural Evolution and Performance of Mesoporous Block Copolymer-Directed Alumina Perovskite Solar Cells Tan, Kwan Wee; Moore, David T.; Saliba, Michael ACS Nano, Vol. 8, Issue 5 https://doi.org/10.1021/nn500526t	journal	April 2014
Lead Iodide Perovskite Sensitized All-Solid-State Submicron Thin Film Mesoscopic Solar Cell with Efficiency Exceeding 9% Kim, Hui-Seon; Lee, Chang-Ryul; Im, Jeong-Hyeok Scientific Reports, Vol. 2, Issue 1 https://doi.org/10.1038/srep00591	journal	August 2012

Similar Records

Revealing the Dynamics of Hybrid Metal Halide Perovskite Formation via Multimodal In Situ Probes

Journal Article · Mon Dec 09 00:00:00 EST 2019 · Advanced Functional Materials · OSTI ID:1465603

Song, Tze‐Bin; Yuan, Zhenghao; Mori, Megumi; +7 more

Effects of Oxygen and Water on the Formation and Degradation Processes of (CH₃NH₃)PbI₃ Thin Films

Journal Article · Tue Nov 03 00:00:00 EST 2020 · ACS Applied Energy Materials · OSTI ID:1465603

Kim, Jiyoon; Schelhas, Laura T.; Stone, Kevin H.

Low Pressure Vapor-assisted Solution Process for Tunable Band Gap Pinhole-free Methylammonium Lead Halide Perovskite Films

Journal Article · Fri Sep 08 00:00:00 EDT 2017 · Journal of Visualized Experiments · OSTI ID:1465603

Sutter-Fella, Carolin M.; Li, Yanbo; Cefarin, Nicola; +5 more

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Title: Transformation from crystalline precursor to perovskite in PbCl2-derived MAPbI3

Citation Formats

References (41)

Similar Records

Related Subjects