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RESEARCH PAPER · Advanced Materials · 2021

Machine Learning Guided Dopant Selection for Metal Oxide‐Based Photoelectrochemical Water Splitting: The Case Study of Fe2O3 and CuO

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Machine Learning Guided Dopant Selection for Metal Oxide‐Based Photoelectrochemical Water Splitting: The Case Study of Fe2O3 and CuOOriginalHollow cubic CdS@CoS/WS 2 dual S-scheme heterojunction superstructure toward optimized photothermal–photocatalytic performance20Perovskite enables high performance vanadium redox flow battery162Nanohollow Titanium Oxide Structures on Ti/FTO Glass Formed by Step-Bias Anodic Oxidation for Photoelectrochemical Enhancement4Advanced Cathode Materials for Protonic Ceramic Fuel Cells: Recent Progress and Future Perspectives183Machine‐Learning‐Accelerated Development of Efficient Mixed Protonic–Electronic Conducting Oxides as the Air Electrodes for Protonic Ceramic Cells70Defect Engineering in Photocatalysts and Photoelectrodes: From Small to Big109A data-driven interpretable method to predict capacities of metal ion doped TiO 2 anode materials for lithium-ion batteries using machine learning classifiers40Addressing the stability challenge of photo(electro)catalysts towards solar water splitting78Machine learning integrated photocatalysis: progress and challenges94Reshaping the material research paradigm of electrochemical energy storage and conversion by machine learning34Boosting Charge Mediation in Ferroelectric BaTiO3−x‐Based Photoanode for Efficient and Stable Photoelectrochemical Water Oxidation17More comprehensive heterojunction mechanism: Enhanced PEC properties originated from novel ZnIn2S4/Cu2S heterojunction assisted by changed surface states34Can Artificial Intelligence Boost Developing Electrocatalysts for Efficient Water Splitting to Produce Green Hydrogen?12Methods, progresses, and opportunities of materials informatics72Recent Progress on Semiconductor Heterogeneous Photocatalysts in Clean Energy Production and Environmental Remediation248Correlation between the Experimental and Theoretical Photoelectrochemical Response of a WO3 Electrode for Efficient Water Splitting through the Implementation of an Artificial Neural Network14Machine Learning-Assisted Screening of Cu-Based Trimetallic Catalysts for Electrochemical Conversion of CO 2 to CO22Engineering intrinsic defects in CuO NWs through laser irradiation: Oxygen vs copper vacancies48Advanced Design of a III‐Nitride Light‐Emitting Diode via Machine Learning11Superhydrophilic CoFe Dispersion of Hydrogel Electrocatalysts for Quasi-Solid-State Photoelectrochemical Water Splitting63Principles of Photocatalysts and Their Different Applications: A Review421Polarization Alignment in Polycrystalline BiFeO3 Photoelectrodes for Tunable Band Bending26Intelligent design and synthesis of energy catalytic materials25Layered nanomaterials for renewable energy generation and storage15Development of photoelectrochemical water splitting photoanode: bibliometric analysis and artificial intelligence advancement15Supramolecular interaction of a molecular catalyst with a polymeric carbon nitride photoanode enhances photoelectrochemical activity and stability at neutral pH7Two-dimensional carbon/boron nitrides: modification, machine learning and beyond9First-Principles Study of Electronic Structure and Optical Properties of Ni-Doped Bi4O5Br27Solar Fuel Generation: The Relevance and Approaches0Amorphous Fe0.7Cu0.3Ox as a Bifunctional Catalyst for Selective Hydration of Nitriles to Amides in Water14Machine-learning-enabled exploitation of gas-sensing descriptors: A case study of five pristine metal oxides25Coordination structure engineering of Cu-based electrocatalysts for electrocatalytic water splitting59Earth-Abundant Metal Oxides for Monolithic Tandem Photoelectrochemical Water Splitting Devices: Current Trends and Perspectives15Oxygen Vacancy: How Will Poling History Affect Its Role in Photoelectrocatalysis4Development of Semi Empirical and Machine Learning Models for Photo-Electrochemical Cells1A novel structure Ti/Fe2O3/Cu2S/Co(OH)x enhances the photoelectrochemical water splitting performance of iron oxide14Solar Hydrogen Production and Storage in Solid Form: Prospects for Materials and Methods16Machine Learning‐Aided Discovery of Low‐Pt High Entropy Intermetallic Compounds for Electrochemical Oxygen Reduction Reaction47Machine Learning‐Aided Discovery of Low‐Pt High Entropy Intermetallic Compounds for Electrochemical Oxygen Reduction Reaction18Construction of hybrid models based on cascade technique using basic machine learning models: An application as photocurrent density predictor of the photoelectrode in PEC cell7Development of Semi-Empirical and Machine Learning Models for Photoelectrochemical Cells2Optimizing Charge Separation and Transport: Enhanced Photoelectrochemical Water Splitting in α-Fe2O3/CZTS Nanorod Arrays8DFT-Guided Design of Dual Dopants in Anatase TiO2 for Boosted Sodium Storage21Machine Learning-Driven Multidomain Nanomaterial Design: From Bibliometric Analysis to Applications82Photocatalysts Derived from Renewable Feedstock for Environmental Application/Remediation4Artificial intelligence-driven advances in photocatalytic hydrogen production19Layered double hydroxide modified bismuth vanadate as an efficient photoanode for enhancing photoelectrochemical water splitting27Machine learning based prediction of MnO 2 cathode discharge capacity for high-performance zinc-ion batteries7Phase effect of TiO 2 on surface hydrogen adsorption/desorption in controlling photocatalytic methane conversion6Machine-learning for discovery of descriptors for gas-sensing: A case study of doped metal oxides7Experimental study of CuBi2O4 photocathode synthesized by spray pyrolysis and electrochemical deposition methods for visible light harvesting in photoelectrochemical cells3Machine Learning‐Accelerated Design of High‐Efficient Lithium Adsorbents for Salt Lake Brines20Machine Learning‐Accelerated Design of High‐Efficient Lithium Adsorbents for Salt Lake Brines12Interpretable Machine Learning Applications: A Promising Prospect of AI for Materials68Machine-Learning-Guided Design of Nanostructured Metal Oxide Photoanodes for Photoelectrochemical Water Splitting: From Material Discovery to Performance Optimization37Artificial intelligence in materials science and engineering: Current landscape, key challenges, and future trajectories33Machine-Learning-Driven Photocurrent Prediction in Multielement-Doped Hematite Photoelectrodes15Fe(III)‐Mediated Formation of Cu Nanoinclusions and Local Heterojunctions in CuWO4 Photoanodes5Prospects of AI in advancing green hydrogen production: From materials to applications9Surface Modulation of BiVO 4 Photoanodes via Oxygen Vacancy-Rich β-Bi 2 O 3 Coating for Enhanced Charge Transfer and Water Oxidation Kinetics1Defect-engineered cocatalysts for photoelectrochemical water splitting: Recent advances in synthesis, characterization, and performance optimization5Energy related application of metal oxide-supported metal nanoparticles0A framework for SEM to photoelectrochemical J – V curve prediction using convolutional neural networks and descriptor interpretation0Defect-state-mediated carrier thermalization in S/Mo co-doped TiO 2 enables efficient solar photothermal anti-icing0Next‐Generation Quantum Dot Engineering for Photoelectrochemical Hydrogen Production: Insights From Artificial Intelligence‐Assisted Approaches7Machine learning-driven doping optimization: Enhancing structural stability of Mn-based ion sieves for Lithium extraction from brine2Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO 2 Conversion3Recent advancement of metal-containing catalysts for the environmental remediation of nitro aromatics and organic dyes from wastewater3Interfacial engineering of hematite nanoplates with multi-transition-metal MXenes for boosted photoelectrochemical water splitting0Recent Advances in Photoelectrochemical Synthesis of Value-added Chemicals0Materials informatics across the length scales0Machine-Learning-Guided Optimization of Rapid-Lamp-Annealed Hematite Photoanodes for Solar Water Splitting0Bridging the scaling gap: From laboratory to industry in large-area photoelectrochemical water splitting0

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