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Title: Transformation from Crystalline Precursor to Perovskite in PbCl 2 Derived MAPbl 3

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 3NH 3). The as-spun film consists of crystalline MA 2PbI 3Cl, 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. As a result, this enhanced chemical understanding is paramount for the rational control of film deposition and the fabrication of superior optoelectronic devices.
Authors:
 [1] ;  [1] ;  [2] ;  [1] ;  [3] ;  [4] ;  [5] ;  [1]
  1. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  2. SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States)
  3. Lund Univ., Lund (Sweden); Helmholtz-Zentrum Berlin, Berlin (Germany)
  4. Stanford Univ., Stanford, CA (United States)
  5. Univ. of Colorado, Boulder, CO (United States)
Publication Date:
Grant/Contract Number:
AC02-76SF00515; DGE-1147470
Type:
Published Article
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 9; Journal Issue: 1; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Research Org:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1465603
Alternate Identifier(s):
OSTI ID: 1461197

Tassone, Christopher J., Stone, Kevin H., Gold-Parker, Aryeh, Pool, Vanessa L., Unger, Eva L., Bowring, Andrea R., McGehee, Michael D., and Toney, Michael F.. Transformation from Crystalline Precursor to Perovskite in PbCl2 Derived MAPbl3. United States: N. p., Web. doi:10.1038/s41467-018-05937-4.
Tassone, Christopher J., Stone, Kevin H., Gold-Parker, Aryeh, Pool, Vanessa L., Unger, Eva L., Bowring, Andrea R., McGehee, Michael D., & Toney, Michael F.. Transformation from Crystalline Precursor to Perovskite in PbCl2 Derived MAPbl3. United States. doi:10.1038/s41467-018-05937-4.
Tassone, Christopher J., Stone, Kevin H., Gold-Parker, Aryeh, Pool, Vanessa L., Unger, Eva L., Bowring, Andrea R., McGehee, Michael D., and Toney, Michael F.. 2018. "Transformation from Crystalline Precursor to Perovskite in PbCl2 Derived MAPbl3". United States. doi:10.1038/s41467-018-05937-4.
@article{osti_1465603,
title = {Transformation from Crystalline Precursor to Perovskite in PbCl2 Derived MAPbl3},
author = {Tassone, Christopher J. and Stone, Kevin H. and Gold-Parker, Aryeh and Pool, Vanessa L. and Unger, Eva L. and Bowring, Andrea R. and McGehee, Michael D. and Toney, Michael F.},
abstractNote = {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 (MAPbI3) from the single-step deposition of lead chloride and three equivalents of methylammonium iodide (PbCl2 + 3MAI) (MA = CH3NH3). The as-spun film consists of crystalline MA2PbI3Cl, 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. As a result, this enhanced chemical understanding is paramount for the rational control of film deposition and the fabrication of superior optoelectronic devices.},
doi = {10.1038/s41467-018-05937-4},
journal = {Nature Communications},
number = 1,
volume = 9,
place = {United States},
year = {2018},
month = {8}
}

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