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PreprintCC BYChemRxiv

Robot-Accelerated Perovskite Investigation and Discovery: Copper Halide Perovskitoids

  • Rebecca McAlpine
  • Clare A. Fleming
  • Gabriel Jones-Thomson
  • Keqing He
  • Aldan Dye
  • Aidan T. Cosgrove
  • Evelyn Partridge
  • Xuelin Yang
  • Runqi Dong
  • Jiaen Wu
  • Matthias Zeller1
  • Joshua Schrier2
1 more authors
  • Alexander J. Norquist3
  1. 1Department of Chemistry, Purdue University, 560 Oval Drive, West Lafayette, Indiana, USA, 47907
  2. 2Department of Chemistry, Fordham University, 441 E. Fordham Road, Bronx, New York, USA, 10458
  3. 3Department of Chemistry, Haverford College, 370 Lancaster Avenue, Haverford, Pennsylvania, USA, 19041
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Abstract

Metal halide perovskitoids are a compositionally and structurally diverse class of materials with many applications. High-throughput experimentation is a valuable tool for exploratory synthesis of these materials, particularly as part of the search for environmentally friendly lead-free perovskitoids. Herein, we describe an automated, high-throughput approach for metal halide perovskite single crystal discovery based on antisolvent vapor diffusion (ASVD) to rapidly identify and optimize synthesis conditions for the formation of high-quality single crystals. Using this automated approach, a total of 315 copper iodide/chloride perovskite synthesis reactions were conducted using five organoammonium cations, resulting in nine new phases. The nature of the crystalline products is controlled primarily by CuCl2 concentration in the mother liquor, and secondarily by the shape and non-covalent interactions of the organoammonium cation. This approach is generalizable to other metal and halide compositions, as well as the wide array of

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Cite

BibTeXRIS
BibTeX
@misc{mcalpine2026robotaccelerated,
  title = {{Robot-Accelerated Perovskite Investigation and Discovery: Copper Halide Perovskitoids}},
  author = {Rebecca McAlpine and Clare A. Fleming and Gabriel Jones-Thomson and Keqing He and Aldan Dye and Aidan T. Cosgrove and Evelyn Partridge and Xuelin Yang and Runqi Dong and Jiaen Wu and Matthias Zeller and Joshua Schrier and Alexander J. Norquist},
  howpublished = {ChemRxiv},
  year = {2026},
  month = oct,
  doi = {10.26434/chemrxiv.15011094/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011094/v1},
  note = {CC BY},
}
RIS
TY  - UNPB
TI  - Robot-Accelerated Perovskite Investigation and Discovery: Copper Halide Perovskitoids
AU  - Rebecca McAlpine
AU  - Clare A. Fleming
AU  - Gabriel Jones-Thomson
AU  - Keqing He
AU  - Aldan Dye
AU  - Aidan T. Cosgrove
AU  - Evelyn Partridge
AU  - Xuelin Yang
AU  - Runqi Dong
AU  - Jiaen Wu
AU  - Matthias Zeller
AU  - Joshua Schrier
AU  - Alexander J. Norquist
PY  - 2026
DA  - 2026/10/27
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15011094/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011094/v1
AB  - Metal halide perovskitoids are a compositionally and structurally diverse class of materials with many applications. High-throughput experimentation is a valuable tool for exploratory synthesis of these materials, particularly as part of the search for environmentally friendly lead-free perovskitoids. Herein, we describe an automated, high-throughput approach for metal halide perovskite single crystal discovery based on antisolvent vapor diffusion (ASVD) to rapidly identify and optimize synthesis conditions for the formation of high-quality single crystals. Using this automated approach, a total of 315 copper iodide/chloride perovskite synthesis reactions were conducted using five organoammonium cations, resulting in nine new phases. The nature of the crystalline products is controlled primarily by CuCl2 concentration in the mother liquor, and secondarily by the shape and non-covalent interactions of the organoammonium cation. This approach is generalizable to other metal and halide compositions, as well as the wide array of
ER  -