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RESEARCH PAPER · Chemical Communications · 2023

Machine learning integrated photocatalysis: progress and challenges

Luyao Ge, Yuanzhen Ke, Xiaobo Li

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Machine learning integrated photocatalysis: progress and challengesOriginalA comprehensive machine learning strategy for designing high-performance photoanode catalysts21Strategies to improve the photocatalytic performance of covalent triazine frameworks69Light-driven simultaneous water purification and green energy production by photocatalytic fuel cell: A comprehensive review on current status, challenges, and perspectives100Recent advances in structural modification on graphitic carbon nitride (g-C 3N 4)-based photocatalysts for high-efficiency photocatalytic H 2O 2production73LnVO4 (Ln=La, Ce, Pr, Nd, etc.)-based photocatalysts: Synthesis, design, and applications30MatGPT: A Vane of Materials Informatics from Past, Present, to Future74Superior Prediction of Graphene Nanoflake Properties withUnbiased Graph Embedding2Machine learning analysis to interpret the effect of the photocatalytic reaction rate constant (k) of semiconductor-based photocatalysts on dye removal75Advances in the optical and electronic properties and applications of bismuth-based semiconductor materials79Advances in perovskite-based photovoltaics and photocatalysis: a journey fueled by ChemComm1Based on T.E.S.T toxicity prediction and machine learning to forecast toxicity dynamics in the photocatalytic degradation of tetracycline18Two-dimensional carbon/boron nitrides: modification, machine learning and beyond9Recent Advances in Diverse MXenes‐Based Structures for Photocatalytic CO 2 Reduction into Renewable Hydrocarbon Fuels69Combination of ensemble machine learning models in photocatalytic studies using nano TiO2 - Lignin based biochar22Recent progress in photocatalytic NAD(P)H regeneration for photocatalytic-enzymatic-coupling system14Mechanochemical synthesis of novel Z-scheme ZnIn2S4/Zn–Al layered double hydroxides heterojunction with performed photodegradation of SIPX xanthate from aqueous solution10Size dependent photogeneration charge carrier density of hollow ZnIn2S4 microspheres for enhanced photocatalytic activity36Unveiling the photoelectric and photocatalytic promise of two-dimensional lead-free perovskite/InX (X=Se, Te) van der Waals heterostructures7Electrophotocatalysis Versus Indirect Electrolysis: Electrochemical Selenocyclization of 3‐Aza‐1,5‐dienes Facilitated by Energy Transfer, Direct Photolysis or N‐Hydroxyphthalimide14Photoactive materials0Engineering of Graphitic Carbon Nitride (g‐C 3 N 4 ) Based Photocatalysts for Atmospheric Protection: Modification Strategies, Recent Progress, and Application Challenges46Convert Polymer Self‐Assembly Nanostructures into Target Functional Materials: An Art of Embattling Molecules11Defect engineering in two-dimensional materials for photocatalysis: A mini-review of first-principles design21Integrating experimental and machine learning approaches for predictive analysis of photocatalytic hydrogen evolution using Cu/g-C3N430Recent Advancements in Applying Machine Learning in Power-to-X Processes: A Literature Review27Machine learning-enhanced photocatalysis for environmental sustainability: Integration and applications53An in-depth study by machine learning models of the absorbance properties of stable Ta2O5 nanotubes decorated by PbS nanoparticles for photocatalytic applications10Machine learning for a sustainable energy future15Machine Learning-Assisted Screening of Hexagonal 2D van der Waals Bilayers for Photocatalysis9Transformative strategies in photocatalyst design: merging computational methods and deep learning39Feature-Driven Ensemble Machine Learning Prediction of Photocatalytic Discoloration of Dyes1Heterojunction photocatalysts: where are they headed?115Machine learning approach for surface morphology of nanoparticles: Image analysis and data mining techniques1Machine Learning-Guided Optimization of Photocatalytic Algal Inactivation and dissolved inorganic Phosphorus Release by AgCl/g-C3N4/Cu-MOF photocatalyst0Metal–organic frameworks for photocatalytic CO 2 conversion: bridging fundamental insights to practical solutions6Selective heterogeneous photocatalytic activation for toluene oxidation: recent advances, challenges and perspective7Progress in prediction of photocatalytic CO2 reduction using machine learning approach: A mini review16Predictive Modeling of Photocatalytic Hydrogen Production: Integrating Experimental Insights with Machine Learning on Fe/g-C3N4 Catalysts35Applications of machine learning in surfaces and interfaces30Photothermal-driven enhancing photocatalysis and photoelectrocatalysis: Advances and perspectives40Research progress of machine learning in the field of photocatalysis applications21Predicting photodegradation rate constants of water pollutants on TiO2 using graph neural network and combined experimental-graph features7Adsorption and Photo(electro)catalysis for Micropollutant Degradation at the Outlet of Wastewater Treatment Plants: Bibliometric Analysis and Challenges to Implementation3Carbon nitride based photocatalysts for CO2 photoreduction: Recent advances and future perspectives3Recent advances in photocatalytic removal of antibiotic-based CECs: Materials, mechanism and applications9Advancing Transition Metal Oxide Photoelectrodes for Efficient Solar‐Driven Hydrogen Generation: Strategies and Insights22Machine learning in photocatalysis: accelerating design, understanding, and environmental applications20A machine learning based strategy towards enhanced photocatalytic reduction of CO2 to fuels via g-C3N4/TiO2: A comprehensive exploration of optimum parameters9Ultrafast Charge Transfer and Delayed Recombination in a Type-II Ni3TeO6/MoSi2N4 Heterostructure: A Time-Domain Ab Initio Study1CsPbBr 3 Perovskite‐Based Heterostructures in Photocatalysis: Mechanisms, Stability, and Multifunctional Performance39Gallium Nitride in Heterogeneous Photocatalysis: Fundamental Insights and Emerging Trends3The role of artificial intelligence in optimizing photocatalytic degradation technologies of dyes in textile wastewater: Recent advances, challenges, and prospects13Recent Advances in Photocatalysis: From Laboratory to Market21AI‐Driven Modeling and Statistical Assessment of AgO/ZnO/g‐C 3 N 4 Photocatalysts on Wastewater Treatment: Impact of UV–Visible Light3Prospects of AI in advancing green hydrogen production: From materials to applications9Recent advances in industrial photoreactors: A review from design to large-scale applications19Predictive Modeling and Data-Driven Optimization of CdFe2O4/p-Si Heterojunction Electrical Behavior2Artificial Intelligence-Guided Supervised Learning Models for Photocatalysis in Wastewater Treatment26Silicon Photocatalytic Water-Treatment: Synthesis, Modifications, and Machine Learning Insights8Cocatalyst is matter: Cocatalyst engineering of photocatalysts on hydrogen evolution and carbon dioxide reduction5Photo‐Assisted Lithium–Oxygen Batteries: Mechanisms, Materials, and Perspectives16Artificial intelligence-guided design of metal-doped polymeric carbon nitride/clay composites for increased photocatalytic hydrogen evolution3Beyond Hardness: Identifying the Controlling Microstructural Descriptors of Wear in High-Entropy Alloys and High-Entropy Coatings Using Explainable Machine Learning0Key components for realistic application of plastic photoreforming coupled with H2 evolution9Multiscale Engineering of Graphitic Carbon Nitride for Photocatalytic Carbon Dioxide Reduction: From Atomic Structure to Smart Systems14Paradox in Visible‐Light: O 2 •‒ Generation by CsPbBr 3 Perovskite Nanocrystals4Current state of the art and future perspectives for photocatalytic CO2 reduction14Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO 2 Conversion3Influence of synthesis parameters on BiOBr: Taguchi-assisted defect and morphology control for enhanced photocatalytic activity1From green routes to digital design: Two-dimensional photocatalysts at the interface of machine learning and environmental applications0Multifunctional SnS/SnS2/ZSM-5 nanocomposite for efficient photodegradation: Coupled with experimentally validated machine learning predictive modeling0Decoding the atomic architecture of photocatalytic active sites: From precise identification to rational design principles1Photocatalytic CO2 reduction using metal-organic frameworks: Recent advances, challenges and machine learning based future perspectives1Solar Generated Hydrogen: 2D Heterostructures for Photocatalysts5Photoelectrochemical oxidation for biomass valorization: Upgrading biorefinery-derived feedstocks into value-added chemicals3TiO2 Photocatalysis for Sustainable Treatment of Oil Produced Water: A Computational Approach0Reactivity of Gas‐Phase Metal Clusters: Unlocking Mechanisms of Activation and Conversion of Small Molecules2From Structure to Solar Reactivity: Unraveling the Photocatalytic Ammonia Production on Perovskite Platforms1Interfacial Hydrophilicity Engineering in Photocatalysts: From Surface Reconstruction to Functional Applications0Potential applications of artificial intelligence in photocatalysis performance enhancement: a review0Mechanistic Control of C─H Bond Activation and C─C Coupling in Light‐Driven Methane Conversion to C 2 + Products over Multifunctional Photocatalysts0Recent Advances, Emerging Trends, and Technology Readiness Level of ZrO 2 ‐Based Nanomaterials for the Photocatalytic Degradation of Pharmaceutical Pollutants2Machine Learning Meets Photocatalytic Water Splitting for Sustainable Hydrogen Production0Dual‐Site Photocatalysts for Selective CO 2 to C 2 + Conversion: Pathway Regulation and Machine Learning Guided Design0Spiramycin (SPR) antibiotics degradation with WO3 photocatalyst and ML XGBoost model for process parameters screening0Machine learning-derived decatungstate photocatalytic CH functionalization: from machine learning to predictive modeling1Data- and AI-Driven Catalysis Science: From Descriptors to Digital Catalysis for Next-Generation Catalysts0Rational construction of interfacial photocatalysts toward outstanding performance in energy and evironmental applications0Advances in visible light photocatalysis for harmful algal bloom mitigation from mechanistic understanding to sustainable application1Design roadmap, multi-physics modelling, and scale-up of slurry photocatalytic membrane reactors for water treatment0Machine Learning/Artificial Intelligence-Driven Optimization of Photocatalytic Systems for Water Depollution and Antibacterial Applications0Advances in Bi-MOF-based heterostructures for CO2 photoconversion: Mechanistic insights, charge dynamics, and structure-function correlations0A descriptor-oriented reporting framework for lanthanide-doped upconversion nanoparticle–semiconductor heterostructures in NIR-activated photocatalysis: Photophysics, interfaces, and ML-ready data0

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