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Title: Mechanisms of mechanochemical synthesis of cesium lead halides: pathways toward stabilization of α-CsPbI3

Abstract

Cesium lead iodide with cubic perovskite structure (α-CsPbI3) is gaining significant interest in photovoltaic applications due to its excellent absorbance of the visible solar light and other attractive optoelectronic properties. However, the synthesis of stable α-CsPbI3 poses a significant challenge. Mechanochemical synthesis is emerging as a suitable method for the preparation of cesium lead halides. This work investigates the ball milling-induced synthesis of cesium lead halides perovskite phase using halide mixing or doping approaches. The synthesis in the CsI + PbI2, CsBr + PbBr2, CsBr + PbI2, and CsI + PbI2 + NdI3 mixtures and halide exchange reactions in the CsPbBr3 + 3KI and CsBr + PbBr2 + 3KI systems are investigated to elucidate the mechanism of this process. Then, CsPb(I1–xBrx)3 and CsPb(1–y)NdyI3 materials with different x and y ratios are prepared, and their stability is probed in the air using light absorption spectroscopy. These results suggest that Nd doping is more efficient in the stabilization of the perovskite structure than partial replacement of iodine with bromine. Microstructure observations reveal the existence of two different product formation mechanisms depending on the mechanical properties of reactants. The results reveal that the milling temperature has a significant impact on the reaction kinetics.more » Here, the produced particles nucleate and grow at the reactant interface and retard the synthesis reaction by creating a diffusion barrier. Extended milling reduces the product particle size and creates fresh contact between reactants, thus facilitating reaction completion.« less

Authors:
 [1];  [2];  [2];  [1];  [2]
+ Show Author Affiliations
  1. Alikhanyan National Laboratory (Yerevan Physics Institute) (Armenia)
  2. Univ. of Notre Dame, IN (United States)
Publication Date:
Research Org.:
Univ. of Notre Dame, IN (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)
OSTI Identifier:
1642348
Grant/Contract Number:  
NA0003888; PHY-1713857
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Materials Science
Additional Journal Information:
Journal Volume: 55; Journal Issue: 20; Journal ID: ISSN 0022-2461
Publisher:
Springer
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Cesium lead iodide; mechanochemical synthesis; doping; light absorption; phase stabilization; solar cell materials

Citation Formats

Aleksanyan, Eduard, Aprahamian, Ani, Mukasyan, Alexander S., Harutyunyan, Vachagan, and Manukyan, Khachatur V. Mechanisms of mechanochemical synthesis of cesium lead halides: pathways toward stabilization of α-CsPbI3. United States: N. p., 2020. Web. doi:10.1007/s10853-020-04617-3.
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Aleksanyan, Eduard, Aprahamian, Ani, Mukasyan, Alexander S., Harutyunyan, Vachagan, & Manukyan, Khachatur V. Mechanisms of mechanochemical synthesis of cesium lead halides: pathways toward stabilization of α-CsPbI3. United States. https://doi.org/10.1007/s10853-020-04617-3
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Aleksanyan, Eduard, Aprahamian, Ani, Mukasyan, Alexander S., Harutyunyan, Vachagan, and Manukyan, Khachatur V. Wed . "Mechanisms of mechanochemical synthesis of cesium lead halides: pathways toward stabilization of α-CsPbI3". United States. https://doi.org/10.1007/s10853-020-04617-3. https://www.osti.gov/servlets/purl/1642348.
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@article{osti_1642348,
title = {Mechanisms of mechanochemical synthesis of cesium lead halides: pathways toward stabilization of α-CsPbI3},
author = {Aleksanyan, Eduard and Aprahamian, Ani and Mukasyan, Alexander S. and Harutyunyan, Vachagan and Manukyan, Khachatur V.},
abstractNote = {Cesium lead iodide with cubic perovskite structure (α-CsPbI3) is gaining significant interest in photovoltaic applications due to its excellent absorbance of the visible solar light and other attractive optoelectronic properties. However, the synthesis of stable α-CsPbI3 poses a significant challenge. Mechanochemical synthesis is emerging as a suitable method for the preparation of cesium lead halides. This work investigates the ball milling-induced synthesis of cesium lead halides perovskite phase using halide mixing or doping approaches. The synthesis in the CsI + PbI2, CsBr + PbBr2, CsBr + PbI2, and CsI + PbI2 + NdI3 mixtures and halide exchange reactions in the CsPbBr3 + 3KI and CsBr + PbBr2 + 3KI systems are investigated to elucidate the mechanism of this process. Then, CsPb(I1–xBrx)3 and CsPb(1–y)NdyI3 materials with different x and y ratios are prepared, and their stability is probed in the air using light absorption spectroscopy. These results suggest that Nd doping is more efficient in the stabilization of the perovskite structure than partial replacement of iodine with bromine. Microstructure observations reveal the existence of two different product formation mechanisms depending on the mechanical properties of reactants. The results reveal that the milling temperature has a significant impact on the reaction kinetics. Here, the produced particles nucleate and grow at the reactant interface and retard the synthesis reaction by creating a diffusion barrier. Extended milling reduces the product particle size and creates fresh contact between reactants, thus facilitating reaction completion.},
doi = {10.1007/s10853-020-04617-3},
journal = {Journal of Materials Science},
number = 20,
volume = 55,
place = {United States},
year = {Wed Apr 08 00:00:00 EDT 2020},
month = {Wed Apr 08 00:00:00 EDT 2020}
}
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https://doi.org/10.1007/s10853-020-04617-3
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Works referenced in this record:

Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys
journal, December 2015

Making by Grinding: Mechanochemistry Boosts the Development of Halide Perovskites and Other Multinary Metal Halides
journal, April 2020

  • Palazon, Francisco; El Ajjouri, Yousra; Bolink, Henk J.
  • Advanced Energy Materials, Vol. 10, Issue 13
  • DOI: 10.1002/aenm.201902499

Synthesis of Ultrathin Few-Layer 2D Nanoplates of Halide Perovskite Cs 3 Bi 2 I 9 and Single-Nanoplate Super-Resolved Fluorescence Microscopy
journal, November 2018

Benign-by-Design Solventless Mechanochemical Synthesis of Three-, Two-, and One-Dimensional Hybrid Perovskites
journal, October 2016

  • Jodlowski, Alexander D.; Yépez, Alfonso; Luque, Rafael
  • Angewandte Chemie International Edition, Vol. 55, Issue 48
  • DOI: 10.1002/anie.201607397

All-Solid-State Mechanochemical Synthesis and Post-Synthetic Transformation of Inorganic Perovskite-type Halides
journal, January 2018

  • Pal, Provas; Saha, Sujoy; Banik, Ananya
  • Chemistry - A European Journal, Vol. 24, Issue 8
  • DOI: 10.1002/chem.201705682

Mechanochemical synthesis of inorganic halide perovskites: evolution of phase-purity, morphology, and photoluminescence
journal, January 2019

  • Palazon, Francisco; El Ajjouri, Yousra; Sebastia-Luna, Paz
  • Journal of Materials Chemistry C, Vol. 7, Issue 37
  • DOI: 10.1039/c9tc03778k

Caesium for Perovskite Solar Cells: An Overview
journal, June 2018

  • Bella, Federico; Renzi, Polyssena; Cavallo, Carmen
  • Chemistry - A European Journal, Vol. 24, Issue 47
  • DOI: 10.1002/chem.201801096

Mechanochemical synthesis of methylammonium lead iodide perovskite
journal, July 2016

  • Manukyan, K. V.; Yeghishyan, A. V.; Moskovskikh, D. O.
  • Journal of Materials Science, Vol. 51, Issue 19
  • DOI: 10.1007/s10853-016-0165-4

Bismuth Incorporation Stabilized α-CsPbI 3 for Fully Inorganic Perovskite Solar Cells
journal, September 2017

Fluorescent Alloy CsPb x Mn 1– x I 3 Perovskite Nanocrystals with High Structural and Optical Stability
journal, August 2017

Structural absorption by barbule microstructures of super black bird of paradise feathers
journal, January 2018

Single-Source Vapor Deposition of Quantum-Cutting Yb 3+ :CsPb(Cl 1– x Br x ) 3 and Other Complex Metal-Halide Perovskites
journal, May 2019

  • Crane, Matthew J.; Kroupa, Daniel M.; Roh, Joo Yeon
  • ACS Applied Energy Materials, Vol. 2, Issue 6
  • DOI: 10.1021/acsaem.9b00910

Cubic or Orthorhombic? Revealing the Crystal Structure of Metastable Black-Phase CsPbI 3 by Theory and Experiment
journal, June 2018

Colloidal Synthesis of Air-Stable Alloyed CsSn 1– x Pb x I 3 Perovskite Nanocrystals for Use in Solar Cells
journal, November 2017

  • Liu, Feng; Ding, Chao; Zhang, Yaohong
  • Journal of the American Chemical Society, Vol. 139, Issue 46
  • DOI: 10.1021/jacs.7b08628

Mechanochemical Synthesis of Methylammonium Lead Mixed–Halide Perovskites: Unraveling the Solid-Solution Behavior Using Solid-State NMR
journal, March 2018

Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties
journal, July 2013

  • Stoumpos, Constantinos C.; Malliakas, Christos D.; Kanatzidis, Mercouri G.
  • Inorganic Chemistry, Vol. 52, Issue 15, p. 9019-9038
  • DOI: 10.1021/ic401215x

Thermal unequilibrium of strained black CsPbI 3 thin films
journal, July 2019

Low-Cost Synthesis of Highly Luminescent Colloidal Lead Halide Perovskite Nanocrystals by Wet Ball Milling
journal, February 2018

  • Protesescu, Loredana; Yakunin, Sergii; Nazarenko, Olga
  • ACS Applied Nano Materials, Vol. 1, Issue 3
  • DOI: 10.1021/acsanm.8b00038

Mechanochemical synthesis of three double perovskites: Cs 2 AgBiBr 6 , (CH 3 NH 3 ) 2 TlBiBr 6 and Cs 2 AgSbBr 6
journal, January 2019

  • García-Espejo, Gonzalo; Rodríguez-Padrón, Daily; Luque, Rafael
  • Nanoscale, Vol. 11, Issue 35
  • DOI: 10.1039/c9nr06092h

Lead Iodide Perovskite Sensitized All-Solid-State Submicron Thin Film Mesoscopic Solar Cell with Efficiency Exceeding 9%
journal, August 2012

  • Kim, Hui-Seon; Lee, Chang-Ryul; Im, Jeong-Hyeok
  • Scientific Reports, Vol. 2, Issue 1
  • DOI: 10.1038/srep00591

Grinding Synthesis of APbX 3 (A = MA, FA, Cs; X = Cl, Br, I) Perovskite Nanocrystals
journal, February 2019

  • Chen, Daqin; Li, Junni; Chen, Xiao
  • ACS Applied Materials & Interfaces, Vol. 11, Issue 10
  • DOI: 10.1021/acsami.8b19002

Phase-Stable Red-Emitting CsPbI 3 Nanocrystals: Successes and Challenges
journal, February 2019

Anharmonicity and Disorder in the Black Phases of CsPbI3 used for Stable Inorganic Perovskite Solar Cells
conference, June 2018

  • Marronnier, Arthur; Roma, Guido; Boyer-Richard, Soline
  • 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion (WCPEC) (A Joint Conference of 45th IEEE PVSC, 28th PVSEC & 34th EU PVSEC)
  • DOI: 10.1109/PVSC.2018.8547769

Synthesis and mixing of complex halide perovskites by solvent-free solid-state methods
journal, March 2019

Doping and phase segregation in Mn 2+ - and Co 2+ -doped lead halide perovskites from 133 Cs and 1 H NMR relaxation enhancement
journal, January 2019

  • Kubicki, Dominik J.; Prochowicz, Daniel; Pinon, Arthur
  • Journal of Materials Chemistry A, Vol. 7, Issue 5
  • DOI: 10.1039/c8ta11457a

Surface passivation of mixed-halide perovskite CsPb(Br x I 1−x ) 3 nanocrystals by selective etching for improved stability
journal, January 2017

  • Jing, Qiang; Zhang, Mian; Huang, Xiang
  • Nanoscale, Vol. 9, Issue 22
  • DOI: 10.1039/c7nr01287j

Incorporation of potassium halides in the mechanosynthesis of inorganic perovskites: feasibility and limitations of ion-replacement and trap passivation
journal, January 2018

  • El Ajjouri, Yousra; Chirvony, Vladimir S.; Sessolo, Michele
  • RSC Advances, Vol. 8, Issue 72
  • DOI: 10.1039/c8ra08823c

High Versatility and Stability of Mechanochemically Synthesized Halide Perovskite Powders for Optoelectronic Devices
journal, July 2019

  • Leupold, Nico; Schötz, Konstantin; Cacovich, Stefania
  • ACS Applied Materials & Interfaces, Vol. 11, Issue 33
  • DOI: 10.1021/acsami.9b09160

Dry Mechanochemical Synthesis of Highly Luminescent, Blue and Green Hybrid Perovskite Solids
journal, December 2019

  • Martínez‐Sarti, Laura; Palazon, Francisco; Sessolo, Michele
  • Advanced Optical Materials, Vol. 8, Issue 4
  • DOI: 10.1002/adom.201901494

All-inorganic cesium lead iodide perovskite solar cells with stabilized efficiency beyond 15%
journal, October 2018

Stabilizing the α-Phase of CsPbI3 Perovskite by Sulfobetaine Zwitterions in One-Step Spin-Coating Films
journal, October 2017

CsBr-Induced Stable CsPbI 3– x Br x ( x < 1) Perovskite Films at Low Temperature for Highly Efficient Planar Heterojunction Solar Cells
journal, October 2018

  • Li, Zhenzhen; Xu, Jia; Zhou, Shijie
  • ACS Applied Materials & Interfaces, Vol. 10, Issue 44
  • DOI: 10.1021/acsami.8b11474

Quantum Dot Light-Emitting Diodes Based on Inorganic Perovskite Cesium Lead Halides (CsPbX 3 )
journal, October 2015

High Chloride Doping Levels Stabilize the Perovskite Phase of Cesium Lead Iodide
journal, May 2016

Few-Nanometer-Sized α-CsPbI 3 Quantum Dots Enabled by Strontium Substitution and Iodide Passivation for Efficient Red-Light Emitting Diodes
journal, January 2019

  • Yao, Ji-Song; Ge, Jing; Wang, Kun-Hua
  • Journal of the American Chemical Society, Vol. 141, Issue 5
  • DOI: 10.1021/jacs.8b11447

Microstructure-reactivity relationship of Ti + C reactive nanomaterials
journal, January 2013

  • Manukyan, Khachatur V.; Lin, Ya-Cheng; Rouvimov, Sergei
  • Journal of Applied Physics, Vol. 113, Issue 2
  • DOI: 10.1063/1.4773475

Solvent Engineering for Ambient-Air-Processed, Phase-Stable CsPbI 3 in Perovskite Solar Cells
journal, August 2016

Tailored Reactivity of Ni+Al Nanocomposites: Microstructural Correlations
journal, September 2012

  • Manukyan, Khachatur V.; Mason, B. Aaron; Groven, Lori J.
  • The Journal of Physical Chemistry C, Vol. 116, Issue 39
  • DOI: 10.1021/jp303407e

Mechanisms of Electron-Beam-Induced Damage in Perovskite Thin Films Revealed by Cathodoluminescence Spectroscopy
journal, November 2015

  • Xiao, Chuanxiao; Li, Zhen; Guthrey, Harvey
  • The Journal of Physical Chemistry C, Vol. 119, Issue 48
  • DOI: 10.1021/acs.jpcc.5b09698

Chlorine doping for black γ-CsPbI3 solar cells with stabilized efficiency beyond 16%
journal, April 2019

Mechanochemical synthesis of 0D and 3D cesium lead mixed halide perovskites
journal, January 2019

  • Karmakar, Abhoy; Dodd, Mya S.; Zhang, Xiaoyue
  • Chemical Communications, Vol. 55, Issue 35
  • DOI: 10.1039/c8cc09622h

Europium-Doped CsPbI2Br for Stable and Highly Efficient Inorganic Perovskite Solar Cells
journal, January 2019

Solvent-Free Mechanosynthesis of Composition-Tunable Cesium Lead Halide Perovskite Quantum Dots
journal, March 2017

  • Zhu, Zhi-Yuan; Yang, Qi-Qi; Gao, Lin-Feng
  • The Journal of Physical Chemistry Letters, Vol. 8, Issue 7
  • DOI: 10.1021/acs.jpclett.7b00431

Experimental and simulation study for impact of different halides on the performance of planar perovskite solar cells
journal, August 2017

  • Elseman, A. M.; Shalan, A. E.; Rashad, M. M.
  • Materials Science in Semiconductor Processing, Vol. 66
  • DOI: 10.1016/j.mssp.2017.04.022

Stabilizing Cesium Lead Halide Perovskite Lattice through Mn(II) Substitution for Air-Stable Light-Emitting Diodes
journal, August 2017

  • Zou, Shenghan; Liu, Yongsheng; Li, Jianhai
  • Journal of the American Chemical Society, Vol. 139, Issue 33
  • DOI: 10.1021/jacs.7b04000

Stabilization of α-CsPbI 3 in Ambient Room Temperature Conditions by Incorporating Eu into CsPbI 3
journal, September 2018

Nanocrystals of Cesium Lead Halide Perovskites (CsPbX 3 , X = Cl, Br, and I): Novel Optoelectronic Materials Showing Bright Emission with Wide Color Gamut
journal, February 2015

  • Protesescu, Loredana; Yakunin, Sergii; Bodnarchuk, Maryna I.
  • Nano Letters, Vol. 15, Issue 6
  • DOI: 10.1021/nl5048779

Low-Bandgap Cs 4 CuSb 2 Cl 12 Layered Double Perovskite: Synthesis, Reversible Thermal Changes, and Magnetic Interaction
journal, July 2018

  • Singhal, Nancy; Chakraborty, Rayan; Ghosh, Prasenjit
  • Chemistry - An Asian Journal, Vol. 13, Issue 16
  • DOI: 10.1002/asia.201800635

Highly Efficient All-Inorganic Planar Heterojunction Perovskite Solar Cells Produced by Thermal Coevaporation of CsI and PbI 2
journal, December 2016

  • Frolova, Lyubov A.; Anokhin, Denis V.; Piryazev, Alexey A.
  • The Journal of Physical Chemistry Letters, Vol. 8, Issue 1
  • DOI: 10.1021/acs.jpclett.6b02594
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