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Title: Chemically controlled crystal growth of (CH3NH3) 2 AgInBr6

Abstract

We report the successful crystal growth of a previously unknown mixed-metal organic compound (CH3NH3)2AgInBr6. This phase, which is not obtained by direct combination of reactants, is crystallized through the use of Pb2+ (from CH3NH3PbBr3) to modulate the soluble intermediates and force formation of (CH3NH3)2AgInBr6. Lastly, our results provide insights into mechanism and design-driven crystal growth and discovery of new halide materials that are chemically related to perovskites with photovoltaic and related applications.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]
  1. Johns Hopkins Univ., Baltimore, MD (United States). Inst. for Quantum Matter
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
  3. Department of Chemistry; Department of Physics and Astronomy; Institute for Quantum Matter; Johns Hopkins University; Baltimore
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1559738
Alternate Identifier(s):
OSTI ID: 1455078
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
CrystEngComm
Additional Journal Information:
Journal Volume: 20; Journal Issue: 39; Journal ID: ISSN 1466-8033
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Tran, Thao T., Quintero, Michael A., Arpino, Kathryn E., Kelly, Zachary A., Panella, Jessica R., Wang, Xiaoping, and McQueen, Tyrel M. Chemically controlled crystal growth of (CH3NH3) 2 AgInBr6. United States: N. p., 2018. Web. doi:10.1039/C8CE00702K.
Tran, Thao T., Quintero, Michael A., Arpino, Kathryn E., Kelly, Zachary A., Panella, Jessica R., Wang, Xiaoping, & McQueen, Tyrel M. Chemically controlled crystal growth of (CH3NH3) 2 AgInBr6. United States. doi:10.1039/C8CE00702K.
Tran, Thao T., Quintero, Michael A., Arpino, Kathryn E., Kelly, Zachary A., Panella, Jessica R., Wang, Xiaoping, and McQueen, Tyrel M. Wed . "Chemically controlled crystal growth of (CH3NH3) 2 AgInBr6". United States. doi:10.1039/C8CE00702K. https://www.osti.gov/servlets/purl/1559738.
@article{osti_1559738,
title = {Chemically controlled crystal growth of (CH3NH3) 2 AgInBr6},
author = {Tran, Thao T. and Quintero, Michael A. and Arpino, Kathryn E. and Kelly, Zachary A. and Panella, Jessica R. and Wang, Xiaoping and McQueen, Tyrel M.},
abstractNote = {We report the successful crystal growth of a previously unknown mixed-metal organic compound (CH3NH3)2AgInBr6. This phase, which is not obtained by direct combination of reactants, is crystallized through the use of Pb2+ (from CH3NH3PbBr3) to modulate the soluble intermediates and force formation of (CH3NH3)2AgInBr6. Lastly, our results provide insights into mechanism and design-driven crystal growth and discovery of new halide materials that are chemically related to perovskites with photovoltaic and related applications.},
doi = {10.1039/C8CE00702K},
journal = {CrystEngComm},
number = 39,
volume = 20,
place = {United States},
year = {2018},
month = {6}
}

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Cited by: 3 works
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Works referenced in this record:

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Complete structure and cation orientation in the perovskite photovoltaic methylammonium lead iodide between 100 and 352 K
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journal, December 2016


Monitoring a Silent Phase Transition in CH 3 NH 3 PbI 3 Solar Cells via Operando X-ray Diffraction
journal, October 2016


The infrared spectra of solid methylammonium halides
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    Works referencing / citing this record:

    CCDC 1816150: Experimental Crystal Structure Determination
    dataset, January 2018

    • Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.
    • Cambridge Crystallographic Data Centre
    • DOI: 10.5517/ccdc.csd.cc1yyvh7

    Lead-free solid-state organic–inorganic halide perovskite solar cells
    journal, May 2014

    • Hao, Feng; Stoumpos, Constantinos C.; Cao, Duyen Hanh
    • Nature Photonics, Vol. 8, Issue 6
    • DOI: 10.1038/nphoton.2014.82

    Cs 2 InAgCl 6 : A New Lead-Free Halide Double Perovskite with Direct Band Gap
    journal, January 2017

    • Volonakis, George; Haghighirad, Amir Abbas; Milot, Rebecca L.
    • The Journal of Physical Chemistry Letters, Vol. 8, Issue 4
    • DOI: 10.1021/acs.jpclett.6b02682

    Designing indirect–direct bandgap transitions in double perovskites
    journal, January 2017

    • Tran, T. Thao; Panella, Jessica R.; Chamorro, Juan R.
    • Materials Horizons, Vol. 4, Issue 4
    • DOI: 10.1039/c7mh00239d

    Band Gaps of the Lead-Free Halide Double Perovskites Cs 2 BiAgCl 6 and Cs 2 BiAgBr 6 from Theory and Experiment
    journal, June 2016

    • Filip, Marina R.; Hillman, Samuel; Haghighirad, Amir Abbas
    • The Journal of Physical Chemistry Letters, Vol. 7, Issue 13
    • DOI: 10.1021/acs.jpclett.6b01041

    Experimental and theoretical optical properties of methylammonium lead halide perovskites
    journal, January 2016

    • Leguy, Aurélien M. A.; Azarhoosh, Pooya; Alonso, M. Isabel
    • Nanoscale, Vol. 8, Issue 12
    • DOI: 10.1039/c5nr05435d

    Revealing the detailed path of sequential deposition for metal halide perovskite formation
    journal, February 2018


    Cs 2 AgBiX 6 (X = Br, Cl): New Visible Light Absorbing, Lead-Free Halide Perovskite Semiconductors
    journal, February 2016


    High-efficiency two-dimensional Ruddlesden–Popper perovskite solar cells
    journal, July 2016

    • Tsai, Hsinhan; Nie, Wanyi; Blancon, Jean-Christophe
    • Nature, Vol. 536, Issue 7616
    • DOI: 10.1038/nature18306

    Chemically diverse and multifunctional hybrid organic–inorganic perovskites
    journal, February 2017


    Formation of Stable Mixed Guanidinium–Methylammonium Phases with Exceptionally Long Carrier Lifetimes for High-Efficiency Lead Iodide-Based Perovskite Photovoltaics
    journal, February 2018

    • Kubicki, Dominik J.; Prochowicz, Daniel; Hofstetter, Albert
    • Journal of the American Chemical Society, Vol. 140, Issue 9
    • DOI: 10.1021/jacs.7b12860

    The infrared spectra of solid methylammonium halides
    journal, June 1962


    Monitoring a Silent Phase Transition in CH 3 NH 3 PbI 3 Solar Cells via Operando X-ray Diffraction
    journal, October 2016


    Direct–indirect character of the bandgap in methylammonium lead iodide perovskite
    journal, October 2016

    • Hutter, Eline M.; Gélvez-Rueda, María C.; Osherov, Anna
    • Nature Materials, Vol. 16, Issue 1
    • DOI: 10.1038/nmat4765

    A Bismuth-Halide Double Perovskite with Long Carrier Recombination Lifetime for Photovoltaic Applications
    journal, February 2016

    • Slavney, Adam H.; Hu, Te; Lindenberg, Aaron M.
    • Journal of the American Chemical Society, Vol. 138, Issue 7
    • DOI: 10.1021/jacs.5b13294

    Synthesis and Properties of a Lead-Free Hybrid Double Perovskite: (CH 3 NH 3 ) 2 AgBiBr 6
    journal, January 2017


    Evolution of Chemical Composition, Morphology, and Photovoltaic Efficiency of CH 3 NH 3 PbI 3 Perovskite under Ambient Conditions
    journal, December 2015


    Universal Dynamics of Molecular Reorientation in Hybrid Lead Iodide Perovskites
    journal, November 2017

    • Fabini, Douglas H.; Siaw, Ting Ann; Stoumpos, Constantinos C.
    • Journal of the American Chemical Society, Vol. 139, Issue 46
    • DOI: 10.1021/jacs.7b09536

    Efficient Lead-Free Solar Cells Based on Hollow {en}MASnI 3 Perovskites
    journal, October 2017

    • Ke, Weijun; Stoumpos, Constantinos C.; Spanopoulos, Ioannis
    • Journal of the American Chemical Society, Vol. 139, Issue 41
    • DOI: 10.1021/jacs.7b09018

    The Role of Oxygen in the Degradation of Methylammonium Lead Trihalide Perovskite Photoactive Layers
    journal, May 2015

    • Aristidou, Nicholas; Sanchez-Molina, Irene; Chotchuangchutchaval, Thana
    • Angewandte Chemie International Edition, Vol. 54, Issue 28
    • DOI: 10.1002/anie.201503153

    The Origin of Lower Hole Carrier Concentration in Methylammonium Tin Halide Films Grown by a Vapor-Assisted Solution Process
    journal, December 2016


    CCDC 1824456: Experimental Crystal Structure Determination
    dataset, January 2018

    • Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.
    • Cambridge Crystallographic Data Centre
    • DOI: 10.5517/ccdc.csd.cc1z7hf4

    Relativistic quasiparticle self-consistent electronic structure of hybrid halide perovskite photovoltaic absorbers
    journal, April 2014


    CCDC 1816267: Experimental Crystal Structure Determination
    dataset, January 2018

    • Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.
    • Cambridge Crystallographic Data Centre
    • DOI: 10.5517/ccdc.csd.cc1yyz84

    Thermal Behavior of Methylammonium Lead-Trihalide Perovskite Photovoltaic Light Harvesters
    journal, October 2014

    • Dualeh, Amalie; Gao, Peng; Seok, Sang Il
    • Chemistry of Materials, Vol. 26, Issue 21
    • DOI: 10.1021/cm502468k

    Dielectric and Thermodynamic Signatures of Low-Temperature Glassy Dynamics in the Hybrid Perovskites CH 3 NH 3 PbI 3 and HC(NH 2 ) 2 PbI 3
    journal, January 2016

    • Fabini, Douglas H.; Hogan, Tom; Evans, Hayden A.
    • The Journal of Physical Chemistry Letters, Vol. 7, Issue 3
    • DOI: 10.1021/acs.jpclett.5b02821

    Interplay between defects, disorder and flexibility in metal-organic frameworks
    journal, December 2016

    • Bennett, Thomas D.; Cheetham, Anthony K.; Fuchs, Alain H.
    • Nature Chemistry, Vol. 9, Issue 1
    • DOI: 10.1038/nchem.2691

    Chemical tuning of dynamic cation off-centering in the cubic phases of hybrid tin and lead halide perovskites
    journal, January 2017

    • Laurita, Geneva; Fabini, Douglas H.; Stoumpos, Constantinos C.
    • Chemical Science, Vol. 8, Issue 8
    • DOI: 10.1039/c7sc01429e

    CCDC 1824457: Experimental Crystal Structure Determination
    dataset, January 2018

    • Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.
    • Cambridge Crystallographic Data Centre
    • DOI: 10.5517/ccdc.csd.cc1z7hg5

    Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells
    journal, April 2014

    • Frost, Jarvist M.; Butler, Keith T.; Brivio, Federico
    • Nano Letters, Vol. 14, Issue 5
    • DOI: 10.1021/nl500390f

    Charge Accumulation and Hysteresis in Perovskite-Based Solar Cells: An Electro-Optical Analysis
    journal, July 2015


    Kinetics of Ion Transport in Perovskite Active Layers and Its Implications for Active Layer Stability
    journal, September 2015

    • Bag, Monojit; Renna, Lawrence A.; Adhikari, Ramesh Y.
    • Journal of the American Chemical Society, Vol. 137, Issue 40
    • DOI: 10.1021/jacs.5b08535

    The crystal structure of BaNiO3
    journal, August 1976

    • Takeda, Y.; Kanamura, F.; Shimada, M.
    • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 32, Issue 8
    • DOI: 10.1107/s056774087600798x

    Synthesis and Characterization of the Rare-Earth Hybrid Double Perovskites: (CH 3 NH 3 ) 2 KGdCl 6 and (CH 3 NH 3 ) 2 KYCl 6
    journal, September 2017

    • Deng, Zeyu; Wei, Fengxia; Brivio, Federico
    • The Journal of Physical Chemistry Letters, Vol. 8, Issue 20
    • DOI: 10.1021/acs.jpclett.7b02322

    Interplay of Orientational Order and Electronic Structure in Methylammonium Lead Iodide: Implications for Solar Cell Operation
    journal, November 2014

    • Quarti, Claudio; Mosconi, Edoardo; De Angelis, Filippo
    • Chemistry of Materials, Vol. 26, Issue 22
    • DOI: 10.1021/cm5032046

    White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites
    journal, March 2017

    • Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.
    • Journal of the American Chemical Society, Vol. 139, Issue 14
    • DOI: 10.1021/jacs.7b01312

    Exploring the properties of lead-free hybrid double perovskites using a combined computational-experimental approach
    journal, January 2016

    • Deng, Zeyu; Wei, Fengxia; Sun, Shijing
    • Journal of Materials Chemistry A, Vol. 4, Issue 31
    • DOI: 10.1039/c6ta05817e

    Thin Films and Solar Cells Based on Semiconducting Two-Dimensional Ruddlesden–Popper (CH 3 (CH 2 ) 3 NH 3 ) 2 (CH 3 NH 3 ) n −1 Sn n I 3 n +1 Perovskites
    journal, April 2017


    Complete structure and cation orientation in the perovskite photovoltaic methylammonium lead iodide between 100 and 352 K
    journal, January 2015

    • Weller, Mark T.; Weber, Oliver J.; Henry, Paul F.
    • Chemical Communications, Vol. 51, Issue 20
    • DOI: 10.1039/c4cc09944c

    Syntheses and structure of hydrothermally prepared CsNiX3 (X=Cl, Br, I)
    journal, August 2012

    • Raw, Adam D.; Ibers, James A.; Poeppelmeier, Kenneth R.
    • Journal of Solid State Chemistry, Vol. 192
    • DOI: 10.1016/j.jssc.2012.03.037

    Structural Diversity and Magnetic Properties of Hybrid Ruthenium Halide Perovskites and Related Compounds
    journal, April 2020

    • Vishnoi, Pratap; Zuo, Julia L.; Strom, T. Amanda
    • Angewandte Chemie International Edition, Vol. 59, Issue 23
    • DOI: 10.1002/anie.202003095

    Additive-assisted synthesis and optoelectronic properties of (CH 3 NH 3 ) 4 Bi 6 I 22
    journal, January 2020

    • Sharma, Manila; Yangui, Aymen; Lusson, Alain
    • Inorganic Chemistry Frontiers, Vol. 7, Issue 7
    • DOI: 10.1039/c9qi01574d