ACS Publications. Most Trusted. Most Cited. Most Read
My Activity
CONTENT TYPES

Figure 1Loading Img
RETURN TO ISSUEPREVPhysical Insights in...Physical Insights into Energy ScienceNEXT

Quantitative Predictions of Moisture-Driven Photoemission Dynamics in Metal Halide Perovskites via Machine Learning

  • John M. Howard
    John M. Howard
    Department of Materials Science and Engineering, University of Maryland, College Park, Maryland 20742, United States
    Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, Maryland 20742, United States
  • Qiong Wang
    Qiong Wang
    Young Investigator Group Active Materials and Interfaces for Stable Perovskite Solar Cells, Helmholtz-Zentrum Berlin für Materialien und Energie, Kekuléstraße 5, 12489 Berlin, Germany
    More by Qiong Wang
  • Meghna Srivastava
    Meghna Srivastava
    Department of Materials Science and Engineering, University of California, Davis, Davis, California 95616, United States
  • Tao Gong
    Tao Gong
    Department of Materials Science and Engineering, University of California, Davis, Davis, California 95616, United States
    Department of Electrical and Computer Engineering, University of California, Davis, Davis, California 95616, United States
    More by Tao Gong
  • Erica Lee
    Erica Lee
    Department of Materials Science and Engineering, University of Maryland, College Park, Maryland 20742, United States
    Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, Maryland 20742, United States
    More by Erica Lee
  • Antonio Abate
    Antonio Abate
    Young Investigator Group Active Materials and Interfaces for Stable Perovskite Solar Cells, Helmholtz-Zentrum Berlin für Materialien und Energie, Kekuléstraße 5, 12489 Berlin, Germany
    Department of Chemical, Materials and Production Engineering, University of Naples Federico II, Piazzale Tecchio 80, 80125 Fuorigrotta, Naples, Italy
  • , and 
  • Marina S. Leite*
    Marina S. Leite
    Department of Materials Science and Engineering, University of California, Davis, Davis, California 95616, United States
    *Email [email protected]
Cite this: J. Phys. Chem. Lett. 2022, 13, 9, 2254–2263
Publication Date (Web):March 3, 2022
https://doi.org/10.1021/acs.jpclett.2c00131
Copyright © 2022 American Chemical Society

    Article Views

    888

    Altmetric

    -

    Citations

    LEARN ABOUT THESE METRICS
    Read OnlinePDF (3 MB)
    Supporting Info (1)»

    Abstract

    Abstract Image

    Metal halide perovskite (MHP) photovoltaics may become a viable alternative to standard Si-based technologies, but the current lack of long-term stability precludes their commercial adoption. Exposure to standard operational stressors (light, temperature, bias, oxygen, and water) often instigate optical and electronic dynamics, calling for a systematic investigation into MHP photophysical processes and the development of quantitative models for their prediction. We resolve the moisture-driven light emission dynamics for both methylammonium lead tribromide and triiodide thin films as a function of relative humidity (rH). With the humidity and photoluminescence time series, we train recurrent neural networks and establish their ability to quantitatively predict the path of future light emission with 18% error over 4 h. Together, our in situ rH-PL measurements and machine learning forecasting models provide a framework for the rational design of future stable perovskite devices and, thus, a faster transition toward commercial applications.

    Supporting Information

    ARTICLE SECTIONS
    Jump To

    The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.jpclett.2c00131.

    • Section S1: experimental methods and schematic; section S2: additional device and thin film characterization, including full photoluminescence data and electron microscope images; section S3: computational methods, schematics, multiple-trial statistics, and hyperparameter plots (all data and code necessary to reproduce the results presented here are available upon request to the authors; code is written in Python in Jupyter notebook format) (PDF)

    Terms & Conditions

    Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses). Permission may be obtained from ACS for other uses through requests via the RightsLink permission system: http://pubs.acs.org/page/copyright/permissions.html.

    Cited By

    This article is cited by 3 publications.

    1. Meghna Srivastava, Abigail R. Hering, Yu An, Juan-Pablo Correa-Baena, Marina S. Leite. Machine Learning Enables Prediction of Halide Perovskites’ Optical Behavior with >90% Accuracy. ACS Energy Letters 2023, 8 (4) , 1716-1722. https://doi.org/10.1021/acsenergylett.2c02555
    2. Kaining Zhang, Lang Chen, Kun Yang, Bin Zhang, Jianying Lu, Junying Wu. Prediction of Initial Reaction Characteristics of Materials from Molecular Conformational Changes Based on Artificial Intelligence Technology. The Journal of Physical Chemistry C 2022, 126 (50) , 21168-21180. https://doi.org/10.1021/acs.jpcc.2c02519
    3. Felix Laufer, Sebastian Ziegler, Fabian Schackmar, Edwin A. Moreno Viteri, Markus Götz, Charlotte Debus, Fabian Isensee, Ulrich W. Paetzold. Process Insights into Perovskite Thin‐Film Photovoltaics from Machine Learning with In Situ Luminescence Data. Solar RRL 2023, 4 , 2201114. https://doi.org/10.1002/solr.202201114

    Pair your accounts.

    Export articles to Mendeley

    Get article recommendations from ACS based on references in your Mendeley library.

    Pair your accounts.

    Export articles to Mendeley

    Get article recommendations from ACS based on references in your Mendeley library.

    You’ve supercharged your research process with ACS and Mendeley!

    STEP 1:
    Click to create an ACS ID

    Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

    Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

    Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

    MENDELEY PAIRING EXPIRED
    Your Mendeley pairing has expired. Please reconnect