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RESEARCH ARTICLE · The Journal of Physical Chemistry Letters · 2021

Machine Learning Roadmap for Perovskite Photovoltaics

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Machine Learning Roadmap for Perovskite PhotovoltaicsOriginalMetal Oxide-Induced Instability and Its Mitigation in Halide Perovskite Solar Cells43Novel machine learning framework for thermal conductivity prediction by crystal graph convolution embedded ensemble25A dataquake for solar cells2Accelerating perovskite materials discovery and correlated energy applications through artificial intelligence62Prediction of dielectric constants of ABO 3 -type perovskites using machine learning and first-principles calculations34Interpolating Nonadiabatic Molecular Dynamics Hamiltonian with Inverse Fast Fourier Transform20Machine Learning and Optoelectronic Materials Discovery: A Growing Synergy26Optical Characterization and Prediction with Neural Network Modeling of Various Stoichiometries of Perovskite Materials Using a Hyperregression Method9Al–Au Thin Films for Thermally Stable and Highly Sensitive Plasmonic Sensors12Advanced Machine Learning Methods for Learning from Sparse Data in High-Dimensional Spaces: A Perspective on Uses in the Upstream of Development of Novel Energy Technologies21Interpretable Machine Learning for Investigating Photoelectrochemical Properties of Cosensitizer-Based CH3NH3PbI3/TiO2 Films in Water11Materials Data toward Machine Learning: Advances and Challenges62Accelerate process optimization in perovskite solar cell manufacturing with machine learning16Recent Progress in Mixed A‐Site Cation Halide Perovskite Thin‐Films and Nanocrystals for Solar Cells and Light‐Emitting Diodes160The Development of New Perovskite-Type Oxygen Transport Membranes Using Machine Learning10Data-Driven Analysis of Hole-Transporting Materials for Perovskite Solar Cells Performance38A Robust Neural Network for Extracting Dynamics from Electrostatic Force Microscopy Data2Applications of machine learning in perovskite materials80Challenges, Opportunities, and Prospects in Metal Halide Perovskites from Theoretical and Machine Learning Perspectives53The Spring of Processing Chemistry in Perovskite Solar Cells–Bayesian Optimization16Experimentally validated machine learning predictions of ultralow thermal conductivity for SnSe materials22Perovskite-Based Materials for Photovoltaic Applications: A Machine Learning Approach0Process Insights into Perovskite Thin‐Film Photovoltaics from Machine Learning with In Situ Luminescence Data27Ytterbium-Doped Lead–Halide Perovskite Nanocrystals: Synthesis, Near-Infrared Emission, and Open-Source Machine Learning Model for Prediction of Optical Properties20Passivation Engineering Using Ultrahydrophobic Donor–π–Acceptor Organic Dye with Machine Learning Insights for Efficient and Stable Perovskite Solar Cells19Machine Learning Enables Prediction of Halide Perovskites’ Optical Behavior with >90% Accuracy44High-throughput calculation and machine learning of two-dimensional halide perovskite materials: Formation energy and band gap35Accelerated prediction of perovskite material properties with classical machine learning and graph neural network6Machine learning for perovskite solar cell design58Perspective on machine learning based investigated materials to realize Stable-Efficient-Toxin free (S-E-T) perovskite solar cells7First-principles and machine learning modeling on adsorption of atmospheric gases on two-dimensional Ruddlesden–Popper halide perovskite surface7The role of machine learning in perovskite solar cell research42Probing the Low-Frequency Response of Impedance Spectroscopy of Halide Perovskite Single Crystals Using Machine Learning21Machine Learning Assisted Analysis, Prediction, and Fabrication of High‐Efficiency CZTSSe Thin Film Solar Cells40Machine learning for fast development of advanced energy materials23Emerging opportunities for hybrid perovskite solar cells using machine learning8Orders of coupling representations as a versatile framework for machine learning from sparse data in high-dimensional spaces14Optoelectronic perovskite film characterization via machine vision7Assessing Performance and Limitations of a Device‐Level Machine Learning Approach for Perovskite Solar Cells with an Application to Hole Transport Materials2Neural Network with Optimal Neuron Activation Functions Based on Additive Gaussian Process Regression27Machine Learning in Perovskite Solar Cells: Recent Developments and Future Perspectives76Machine‐Learning Accelerating the Development of Perovskite Photovoltaics12Bandgap Prediction of Hybrid Organic–Inorganic Perovskite Solar Cell Using Machine Learning15Applications and potentials of machine learning in optoelectronic materials research: An overview and perspectives10Machine Learning-Based Screening for Potential Singlet Fission Chromophores: The Challenge of Imbalanced Data Sets11High-Throughput Multi-Scale Experiments to Probe the Stability of Metal Halide Perovskites11Physics-based extraction of material parameters from perovskite experiments via Bayesian optimization16Physiochemical machine learning models predict operational lifetimes of CH 3 NH 3 PbI 3 perovskite solar cells25Ionic liquid-assisted preparation of Ag–Zn–In–S quaternary quantum dot thin films and luminescence performance optimized by machine learning7High-throughput ab initio calculations and machine learning to discover SrFeO3-δ-based perovskites for chemical-looping applications10Identifying Performance Limiting Parameters in Perovskite Solar Cells Using Machine Learning8Artificial Intelligence-Based, Wavelet-Aided Prediction of Long-Term Outdoor Performance of Perovskite Solar Cells37Machine Learning Approach for Predicting the Hole Mobility of the Perovskite Solar Cells8Accelerating discovery of tunable optical materials (ATOM)3Machine learning guided efficiency improvement for Sn‐based perovskite solar cells with efficiency exceeding 20%43Progress and prospects of quantum emission from perovskites6Adapting Explainable Machine Learning to Study Mechanical Properties of 2D Hybrid Halide Perovskites16Machine learning for perovskite optoelectronics: a review24Imaging Locally Inhomogeneous Properties of Metal Halide Perovskites13Machine Learning Optimization of Non-Kasha Behavior and of Transient Dynamics in Model Retinal Isomerization3Machine learning enhanced characterization and optimization of photonic cured MAPbI3 for efficient perovskite solar cells0An AI-accelerated pathway for reproducible and stable halide perovskites17Deep learning for augmented process monitoring of scalable perovskite thin-film fabrication36High-performance perovskite quantum dot synthesis investigated through exploratory data analysis3Hybrid approach for simulating graded PeDA-DJ perovskite solar cells: SCAPS-1D and machine learning2Accelerating ionic liquid research in perovskite solar cells through machine learning:Opportunities and challenges5Machine Learning Prediction of Organic–Inorganic Halide Perovskite Solar Cell Performance from Optical Properties42Accelerating the discovery of direct bandgap perovskites for solar energy via machine learning6Research Trend Analysis in the Field of Self-Driving Labs Using Network Analysis and Topic Modeling1Optimizing Solar Photovoltaic Power Injection Using Machine Learning: Minimizing Harmonic Distortion Under Inertia Constraints0Machine Learning Accelerated Enhanced Power Conversion Efficiency in FASnI3 Perovskite Solar Cell4Unlocking a self-driving research workflow for perovskite photovoltaics12Comparative convolutional neural networks for perovskite solar cell PCE predictions6Silicon–Perovskite Tandem Solar Cells: An Alternative to the Market-Dominated Silicon-Based Solar Cell Technology8Explainable artificial intelligence relates perovskite luminescence images to current-voltage metrics5Autoencoder for Parameter Estimation and Current-Voltage Curve Simulation of Perovskite Solar Cells0Autoencoder for parameter estimation and current-voltage curve simulation of perovskite solar cells1AI-driven design and applications of quantum dots9Machine learning applications in the design, optimization, and manufacturing of perovskite solar cells3CsPbI3 Perovskites at the Edge of Commercialization: Persistent Barriers, Multidisciplinary Solutions, and the Emerging Role of AI4Using Explainable Artificial Intelligence to Predict Perovskite Solar Cell Electrical Metastability from Operando Photoluminescence Images in Accelerated Stress Testing3Curated Data Set, Structure–Property Relationships, and Machine Learning Prediction of Band Gaps for One-Dimensional Bismuth(III) and Antimony(III) Halides0High‐Accuracy Machine Learning Projections of Composition‐Dependent Thermal Stability in Halide Perovskites0From first-principles to device performance: a computational perspective on perovskite solar cell design0A systematic review of AI assisted SCAPS 1D modeling for hydrophilic degradation analysis and efficiency retention in perovskite solar cells0

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