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

Aleksanyan, Eduard; Aprahamian, Ani; Mukasyan, Alexander S.; Harutyunyan, Vachagan; Manukyan, Khachatur V.

doi:10.1007/s10853-020-04617-3

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

Journal Article · Wed Apr 08 00:00:00 EDT 2020 · Journal of Materials Science

DOI:https://doi.org/10.1007/s10853-020-04617-3· OSTI ID:1642348

Aleksanyan, Eduard ^[1]; Aprahamian, Ani ^[2]; Mukasyan, Alexander S. ^[2]; Harutyunyan, Vachagan ^[1]; Manukyan, Khachatur V. ^[2]

Alikhanyan National Laboratory (Yerevan Physics Institute) (Armenia)
Univ. of Notre Dame, IN (United States)

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(I_1–xBr_x)₃ and CsPb(_1–y)Nd_yI₃ 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.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Univ. of Notre Dame, IN (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)

Grant/Contract Number:: NA0003888; PHY-1713857

OSTI ID:: 1642348

Journal Information:: Journal of Materials Science, Vol. 55, Issue 20; ISSN 0022-2461

Publisher:: SpringerCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 9 works

Citation information provided by
Web of Science

References (54)

Stabilizing Perovskite Structures by Tuning Tolerance Factor: Formation of Formamidinium and Cesium Lead Iodide Solid-State Alloys Li, Zhen; Yang, Mengjin; Park, Ji-Sang Chemistry of Materials, Vol. 28, Issue 1 https://doi.org/10.1021/acs.chemmater.5b04107	journal	December 2015
Highly Luminescent and Water-Resistant CsPbBr ₃ –CsPb ₂ Br ₅ Perovskite Nanocrystals Coordinated with Partially Hydrolyzed Poly(methyl methacrylate) and Polyethylenimine Jiang, Guocan; Guhrenz, Chris; Kirch, Anton ACS Nano, Vol. 13, Issue 9 https://doi.org/10.1021/acsnano.9b04179	journal	August 2019
The synergistic effect of non-stoichiometry and Sb-doping on air-stable α-CsPbI ₃ for efficient carbon-based perovskite solar cells Xiang, Sisi; Li, Weiping; Wei, Ya Nanoscale, Vol. 10, Issue 21 https://doi.org/10.1039/c7nr09657g	journal	January 2018
Making by Grinding: Mechanochemistry Boosts the Development of Halide Perovskites and Other Multinary Metal Halides Palazon, Francisco; El Ajjouri, Yousra; Bolink, Henk J. Advanced Energy Materials, Vol. 10, Issue 13 https://doi.org/10.1002/aenm.201902499	journal	April 2020
Synthesis of Ultrathin Few-Layer 2D Nanoplates of Halide Perovskite Cs ₃ Bi ₂ I ₉ and Single-Nanoplate Super-Resolved Fluorescence Microscopy Sarkar, Arka; Acharyya, Paribesh; Sasmal, Ranjan Inorganic Chemistry, Vol. 57, Issue 24 https://doi.org/10.1021/acs.inorgchem.8b02887	journal	November 2018
Benign-by-Design Solventless Mechanochemical Synthesis of Three-, Two-, and One-Dimensional Hybrid Perovskites Jodlowski, Alexander D.; Yépez, Alfonso; Luque, Rafael Angewandte Chemie International Edition, Vol. 55, Issue 48 https://doi.org/10.1002/anie.201607397	journal	October 2016
All-Solid-State Mechanochemical Synthesis and Post-Synthetic Transformation of Inorganic Perovskite-type Halides Pal, Provas; Saha, Sujoy; Banik, Ananya Chemistry - A European Journal, Vol. 24, Issue 8 https://doi.org/10.1002/chem.201705682	journal	January 2018
Mechanochemical synthesis of inorganic halide perovskites: evolution of phase-purity, morphology, and photoluminescence Palazon, Francisco; El Ajjouri, Yousra; Sebastia-Luna, Paz Journal of Materials Chemistry C, Vol. 7, Issue 37 https://doi.org/10.1039/c9tc03778k	journal	January 2019
Caesium for Perovskite Solar Cells: An Overview Bella, Federico; Renzi, Polyssena; Cavallo, Carmen Chemistry - A European Journal, Vol. 24, Issue 47 https://doi.org/10.1002/chem.201801096	journal	June 2018
Mechanochemical synthesis of methylammonium lead iodide perovskite Manukyan, K. V.; Yeghishyan, A. V.; Moskovskikh, D. O. Journal of Materials Science, Vol. 51, Issue 19 https://doi.org/10.1007/s10853-016-0165-4	journal	July 2016
Bismuth Incorporation Stabilized α-CsPbI ₃ for Fully Inorganic Perovskite Solar Cells Hu, Yanqiang; Bai, Fan; Liu, Xinbang ACS Energy Letters, Vol. 2, Issue 10 https://doi.org/10.1021/acsenergylett.7b00508	journal	September 2017
Fluorescent Alloy CsPb _x Mn _{1– x} I ₃ Perovskite Nanocrystals with High Structural and Optical Stability Akkerman, Quinten A.; Meggiolaro, Daniele; Dang, Zhiya ACS Energy Letters, Vol. 2, Issue 9 https://doi.org/10.1021/acsenergylett.7b00707	journal	August 2017
Structural absorption by barbule microstructures of super black bird of paradise feathers McCoy, Dakota E.; Feo, Teresa; Harvey, Todd Alan Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-017-02088-w	journal	January 2018
Completely Solvent-free Protocols to Access Phase-Pure, Metastable Metal Halide Perovskites and Functional Photodetectors from the Precursor Salts Hong, Zonghan; Tan, Davin; John, Rohit Abraham iScience, Vol. 16 https://doi.org/10.1016/j.isci.2019.05.042	journal	June 2019
Single-Source Vapor Deposition of Quantum-Cutting Yb ³⁺ :CsPb(Cl _{1– x} Br _x ) ₃ and Other Complex Metal-Halide Perovskites Crane, Matthew J.; Kroupa, Daniel M.; Roh, Joo Yeon ACS Applied Energy Materials, Vol. 2, Issue 6 https://doi.org/10.1021/acsaem.9b00910	journal	May 2019
Cubic or Orthorhombic? Revealing the Crystal Structure of Metastable Black-Phase CsPbI ₃ by Theory and Experiment Sutton, Rebecca J.; Filip, Marina R.; Haghighirad, Amir A. ACS Energy Letters, Vol. 3, Issue 8 https://doi.org/10.1021/acsenergylett.8b00672	journal	June 2018
Colloidal Synthesis of Air-Stable Alloyed CsSn _{1– x} Pb _x I ₃ Perovskite Nanocrystals for Use in Solar Cells Liu, Feng; Ding, Chao; Zhang, Yaohong Journal of the American Chemical Society, Vol. 139, Issue 46 https://doi.org/10.1021/jacs.7b08628	journal	November 2017
Mechanochemical Synthesis of Methylammonium Lead Mixed–Halide Perovskites: Unraveling the Solid-Solution Behavior Using Solid-State NMR Karmakar, Abhoy; Askar, Abdelrahman M.; Bernard, Guy M. Chemistry of Materials, Vol. 30, Issue 7 https://doi.org/10.1021/acs.chemmater.7b05209	journal	March 2018
Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties Stoumpos, Constantinos C.; Malliakas, Christos D.; Kanatzidis, Mercouri G. Inorganic Chemistry, Vol. 52, Issue 15, p. 9019-9038 https://doi.org/10.1021/ic401215x	journal	July 2013
Thermal unequilibrium of strained black CsPbI ₃ thin films Steele, Julian A.; Jin, Handong; Dovgaliuk, Iurii Science, Vol. 365, Issue 6454 https://doi.org/10.1126/science.aax3878	journal	July 2019
Low-Cost Synthesis of Highly Luminescent Colloidal Lead Halide Perovskite Nanocrystals by Wet Ball Milling Protesescu, Loredana; Yakunin, Sergii; Nazarenko, Olga ACS Applied Nano Materials, Vol. 1, Issue 3 https://doi.org/10.1021/acsanm.8b00038	journal	February 2018
Mechanochemical synthesis of three double perovskites: Cs ₂ AgBiBr ₆ , (CH ₃ NH ₃ ) ₂ TlBiBr ₆ and Cs ₂ AgSbBr ₆ García-Espejo, Gonzalo; Rodríguez-Padrón, Daily; Luque, Rafael Nanoscale, Vol. 11, Issue 35 https://doi.org/10.1039/c9nr06092h	journal	January 2019
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
Grinding Synthesis of APbX ₃ (A = MA, FA, Cs; X = Cl, Br, I) Perovskite Nanocrystals Chen, Daqin; Li, Junni; Chen, Xiao ACS Applied Materials & Interfaces, Vol. 11, Issue 10 https://doi.org/10.1021/acsami.8b19002	journal	February 2019
Phase-Stable Red-Emitting CsPbI ₃ Nanocrystals: Successes and Challenges Dutta, Anirban; Pradhan, Narayan ACS Energy Letters, Vol. 4, Issue 3 https://doi.org/10.1021/acsenergylett.9b00138	journal	February 2019
Anharmonicity and Disorder in the Black Phases of CsPbI3 used for Stable Inorganic Perovskite Solar Cells 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) https://doi.org/10.1109/PVSC.2018.8547769	conference	June 2018
Synthesis and mixing of complex halide perovskites by solvent-free solid-state methods Rosales, Bryan A.; Wei, Lin; Vela, Javier Journal of Solid State Chemistry, Vol. 271 https://doi.org/10.1016/j.jssc.2018.12.054	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 Kubicki, Dominik J.; Prochowicz, Daniel; Pinon, Arthur Journal of Materials Chemistry A, Vol. 7, Issue 5 https://doi.org/10.1039/c8ta11457a	journal	January 2019
Surface passivation of mixed-halide perovskite CsPb(Br _x I _1−x ) ₃ nanocrystals by selective etching for improved stability Jing, Qiang; Zhang, Mian; Huang, Xiang Nanoscale, Vol. 9, Issue 22 https://doi.org/10.1039/c7nr01287j	journal	January 2017
Highly pure yellow light emission of perovskite CsPb(Br I )3 quantum dots and their application for yellow light-emitting diodes He, Yuandan; Gong, Jinhui; Zhu, Yiyuan Optical Materials, Vol. 80 https://doi.org/10.1016/j.optmat.2018.04.009	journal	June 2018
Incorporation of potassium halides in the mechanosynthesis of inorganic perovskites: feasibility and limitations of ion-replacement and trap passivation El Ajjouri, Yousra; Chirvony, Vladimir S.; Sessolo, Michele RSC Advances, Vol. 8, Issue 72 https://doi.org/10.1039/c8ra08823c	journal	January 2018
High Versatility and Stability of Mechanochemically Synthesized Halide Perovskite Powders for Optoelectronic Devices Leupold, Nico; Schötz, Konstantin; Cacovich, Stefania ACS Applied Materials & Interfaces, Vol. 11, Issue 33 https://doi.org/10.1021/acsami.9b09160	journal	July 2019
Dry Mechanochemical Synthesis of Highly Luminescent, Blue and Green Hybrid Perovskite Solids Martínez‐Sarti, Laura; Palazon, Francisco; Sessolo, Michele Advanced Optical Materials, Vol. 8, Issue 4 https://doi.org/10.1002/adom.201901494	journal	December 2019
All-inorganic cesium lead iodide perovskite solar cells with stabilized efficiency beyond 15% Wang, Kang; Jin, Zhiwen; Liang, Lei Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-06915-6	journal	October 2018
Stabilizing the α-Phase of CsPbI3 Perovskite by Sulfobetaine Zwitterions in One-Step Spin-Coating Films Wang, Qi; Zheng, Xiaopeng; Deng, Yehao Joule, Vol. 1, Issue 2 https://doi.org/10.1016/j.joule.2017.07.017	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 Li, Zhenzhen; Xu, Jia; Zhou, Shijie ACS Applied Materials & Interfaces, Vol. 10, Issue 44 https://doi.org/10.1021/acsami.8b11474	journal	October 2018
Quantum Dot Light-Emitting Diodes Based on Inorganic Perovskite Cesium Lead Halides (CsPbX ₃ ) Song, Jizhong; Li, Jianhai; Li, Xiaoming Advanced Materials, Vol. 27, Issue 44 https://doi.org/10.1002/adma.201502567	journal	October 2015
High Chloride Doping Levels Stabilize the Perovskite Phase of Cesium Lead Iodide Dastidar, Subham; Egger, David A.; Tan, Liang Z. Nano Letters, Vol. 16, Issue 6 https://doi.org/10.1021/acs.nanolett.6b00635	journal	May 2016
Few-Nanometer-Sized α-CsPbI ₃ Quantum Dots Enabled by Strontium Substitution and Iodide Passivation for Efficient Red-Light Emitting Diodes Yao, Ji-Song; Ge, Jing; Wang, Kun-Hua Journal of the American Chemical Society, Vol. 141, Issue 5 https://doi.org/10.1021/jacs.8b11447	journal	January 2019
Microstructure-reactivity relationship of Ti + C reactive nanomaterials Manukyan, Khachatur V.; Lin, Ya-Cheng; Rouvimov, Sergei Journal of Applied Physics, Vol. 113, Issue 2 https://doi.org/10.1063/1.4773475	journal	January 2013
Mechanosynthesis, Optical, and Morphological Properties of MA, FA, Cs-SnX ₃ (X = I, Br) and Phase-Pure Mixed-Halide MASnI _x Br ₃ _{- x} Perovskites: Mechanosynthesis, Optical, and Morphological Properties of MA, FA, Cs-SnX ₃ (X = I, Br) and Phase-Pure Mixed-Halide MASnI _x Br ₃ _{- x} Perovskites Saski, Marcin; Prochowicz, Daniel; Marynowski, Wojciech European Journal of Inorganic Chemistry, Vol. 2019, Issue 22 https://doi.org/10.1002/ejic.201801506	journal	March 2019
Solvent Engineering for Ambient-Air-Processed, Phase-Stable CsPbI ₃ in Perovskite Solar Cells Luo, Paifeng; Xia, Wei; Zhou, Shengwen The Journal of Physical Chemistry Letters, Vol. 7, Issue 18 https://doi.org/10.1021/acs.jpclett.6b01576	journal	August 2016
Tailored Reactivity of Ni+Al Nanocomposites: Microstructural Correlations Manukyan, Khachatur V.; Mason, B. Aaron; Groven, Lori J. The Journal of Physical Chemistry C, Vol. 116, Issue 39 https://doi.org/10.1021/jp303407e	journal	September 2012
Mechanisms of Electron-Beam-Induced Damage in Perovskite Thin Films Revealed by Cathodoluminescence Spectroscopy Xiao, Chuanxiao; Li, Zhen; Guthrey, Harvey The Journal of Physical Chemistry C, Vol. 119, Issue 48 https://doi.org/10.1021/acs.jpcc.5b09698	journal	November 2015
Chlorine doping for black γ-CsPbI3 solar cells with stabilized efficiency beyond 16% Wang, Kang; Jin, Zhiwen; Liang, Lei Nano Energy, Vol. 58 https://doi.org/10.1016/j.nanoen.2019.01.034	journal	April 2019
Mechanochemical synthesis of 0D and 3D cesium lead mixed halide perovskites Karmakar, Abhoy; Dodd, Mya S.; Zhang, Xiaoyue Chemical Communications, Vol. 55, Issue 35 https://doi.org/10.1039/c8cc09622h	journal	January 2019
Europium-Doped CsPbI2Br for Stable and Highly Efficient Inorganic Perovskite Solar Cells Xiang, Wanchun; Wang, Zaiwei; Kubicki, Dominik J. Joule, Vol. 3, Issue 1 https://doi.org/10.1016/j.joule.2018.10.008	journal	January 2019
Solvent-Free Mechanosynthesis of Composition-Tunable Cesium Lead Halide Perovskite Quantum Dots Zhu, Zhi-Yuan; Yang, Qi-Qi; Gao, Lin-Feng The Journal of Physical Chemistry Letters, Vol. 8, Issue 7 https://doi.org/10.1021/acs.jpclett.7b00431	journal	March 2017
Experimental and simulation study for impact of different halides on the performance of planar perovskite solar cells Elseman, A. M.; Shalan, A. E.; Rashad, M. M. Materials Science in Semiconductor Processing, Vol. 66 https://doi.org/10.1016/j.mssp.2017.04.022	journal	August 2017
Stabilizing Cesium Lead Halide Perovskite Lattice through Mn(II) Substitution for Air-Stable Light-Emitting Diodes Zou, Shenghan; Liu, Yongsheng; Li, Jianhai Journal of the American Chemical Society, Vol. 139, Issue 33 https://doi.org/10.1021/jacs.7b04000	journal	August 2017
Stabilization of α-CsPbI ₃ in Ambient Room Temperature Conditions by Incorporating Eu into CsPbI ₃ Jena, Ajay Kumar; Kulkarni, Ashish; Sanehira, Yoshitaka Chemistry of Materials, Vol. 30, Issue 19 https://doi.org/10.1021/acs.chemmater.8b01808	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 Protesescu, Loredana; Yakunin, Sergii; Bodnarchuk, Maryna I. Nano Letters, Vol. 15, Issue 6 https://doi.org/10.1021/nl5048779	journal	February 2015
Low-Bandgap Cs ₄ CuSb ₂ Cl ₁₂ Layered Double Perovskite: Synthesis, Reversible Thermal Changes, and Magnetic Interaction Singhal, Nancy; Chakraborty, Rayan; Ghosh, Prasenjit Chemistry - An Asian Journal, Vol. 13, Issue 16 https://doi.org/10.1002/asia.201800635	journal	July 2018
Highly Efficient All-Inorganic Planar Heterojunction Perovskite Solar Cells Produced by Thermal Coevaporation of CsI and PbI ₂ Frolova, Lyubov A.; Anokhin, Denis V.; Piryazev, Alexey A. The Journal of Physical Chemistry Letters, Vol. 8, Issue 1 https://doi.org/10.1021/acs.jpclett.6b02594	journal	December 2016

Similar Records

Electronic Structures and Magnetic Properties of Transition Metal Doped CsPbI{sub 3} Perovskite Compounds by First-Principles Calculation

Journal Article · Sat Jun 15 00:00:00 EDT 2019 · Physics of the Solid State · OSTI ID:1642348

Suzuki, Atsushi; Oku, Takeo

Chemical durability and degradation mechanisms of CsPbI ₃ as a potential host phase for cesium and iodine sequestration

Journal Article · Fri Apr 22 00:00:00 EDT 2022 · RSC Advances · OSTI ID:1642348

Bryce, Keith; Yang, Kun; Wang, Yachun; +1 more

CsI-Antisolvent Adduct Formation in All-Inorganic Metal Halide Perovskites

Journal Article · Fri Jan 31 00:00:00 EST 2020 · Advanced Energy Materials · OSTI ID:1642348

Moot, Taylor; Marshall, Ashley R.; Wheeler, Lance M.; +9 more

Related Subjects

36 MATERIALS SCIENCE
Cesium lead iodide
mechanochemical synthesis
doping
light absorption
phase stabilization
solar cell materials

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

Citation Formats

References (54)

Similar Records

Related Subjects

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