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RESEARCH PAPER · Nano Energy · 2022

Accelerated discovery of high-performance piezocatalyst in BaTiO3-based ceramics via machine learning

Jingjin He, Chengye Yu, Yuxuan Hou, Xiaopo Su, Junjie Li, Chuanbao Liu, Dezhen Xue, Jiangli Cao, Yanjing Su, Lijie J. Qiao, Turab Lookman, Yang Bai

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Accelerated discovery of high-performance piezocatalyst in BaTiO3-based ceramics via machine learningOriginalPiezoelectrically Mediated Reactions: From Catalytic Reactions to Organic Transformations52Selective Enhancement of Photo‐Piezocatalytic Performance in BaTiO 3 Via heterovalent Ion Doping194Highly efficient harvesting of vibration energy for complex wastewater purification using Bi5Ti3FeO15 with controlled oxygen vacancies68Design strategies and effect comparisons toward efficient piezocatalytic system157Poling effect on piezocatalytic antibacterial and dye degradation activities of BaTiO3 nanoparticles embedded cotton fabric32Efficient piezocatalysis of Bi 0.5 (Na 1− x K x ) 0.5 TiO 3 nanoparticles: bridging the phase ratio at MPB composition and piezocatalytic activity18Machine learning-assisted design of AlN-based high-performance piezoelectric materials17Piezoelectric materials and techniques for environmental pollution remediation160Dielectric constant prediction of perovskite microwave dielectric ceramics via machine learning24Effect of frequency and power on the piezocatalytic and sonochemical degradation of dyes in water46Bi 5 Ti 3 FeO 15 Nanofibers for Highly Efficient Piezocatalytic Degradation of Mixed Dyes and Antibiotics35Multifunctional ferroelectric catalysis for water splitting: classification, synergism, strategies and challenges33Highly Efficient Piezocatalytic Activity of Poly(tetrafluoroethylene) for Large-Scale Organic Wastewater Purification20Defect Engineered Microcrystalline Cellulose for Enhanced Cocatalyst‐Free Piezo‐Catalytic H 2 Production25Machine learning aided accelerated prediction and experimental validation of functional properties of K1-xNaxNbO3-based piezoelectric ceramics18High‐performance ferroelectric based materials via high‐entropy strategy: Design, properties, and mechanism96Critical roles of multiphase coexistence in boosting piezo-catalytic activity of BaTiO3-based piezoelectric ceramics26Machine‐Learning Assisted Screening Proton Conducting Co/Fe based Oxide for the Air Electrode of Protonic Solid Oxide Cell44Thermal conductivity prediction of sintered reaction bonded silicon nitride ceramics using a machine learning approach based on process conditions19An interpretable machine learning strategy for pursuing high piezoelectric coefficients in (K0.5Na0.5)NbO3-based ceramics52Efficient Piezoelectric Catalysis of Micron-Sized Lead-Free Pervoskites: Direct Correlation between Catalytic Properties and Piezoelectric Constants0Advances and challenges in high-performance cathodes for protonic solid oxide fuel cells and machine learning-guided perspectives57Machine Learning Accelerated Discovery of Functional MXenes with Giant Piezoelectric Coefficients41PiezoTensorNet: Crystallography informed multi-scale hierarchical machine learning model for rapid piezoelectric performance finetuning11Multilayer artificial intelligence for thermal-conductivity prediction of silicon nitride ceramics from powder processing conditions and predicted densities7Autoencoded chemical feature interaction machine learning method boosting performance of piezoelectric catalytic process16Performance and mechanism of multi-method driven piezocatalysis on PNN-PT based catalysts1Compositional design of compounds with elements not in training data using supervised learning1Machine learning-assisted accelerated research on piezoelectric response prediction of KNN-based ceramics27Boosting the piezocatalytic performance of BaTiO3-based materials via phase boundary and defect co-engineering12Piezocatalytic techniques and materials for degradation of organic pollutants from aqueous solution58A systematic review of recent advances in piezocatalysis – Synergetic heterojunctions for organic pollutants removal, immobilization, and scope of machine learning techniques30Engineered Composite Interfacial Electric Field Boosts Piezocatalysis of Perovskite Ferroelectrics7Task decomposition strategy based on machine learning for boosting performance and identifying mechanisms in heterogeneous activation of peracetic acid process33Noise‐Aware Active Learning to Develop High‐Temperature Shape Memory Alloys with Large Latent Heat13Machine learning assisted innovative strategy for experimental validation of functional properties of lead-free ceramics8Microstructural basis of AI predictions for material properties: A case study of silicon nitride ceramics using t ‐SNE8Multi-iteration active learning for the composition design of potassium–sodium niobate ceramics with enhanced piezoelectric coefficient11Enhanced piezo-photocatalytic activity of ZnS/Fe2O3: Benefit from type I junction and weak water flow-induced piezoelectric polarization4Regulating interlayer charge transfer in MoS2 via in-situ loading of Pd-metallene to enhance piezo-catalytic degradation efficiency: Contributions of low free energy18Harnessing zinc stannate for sustainable energy and environment solutions: Advances in photocatalytic, piezocatalytic, and piezo-photocatalytic technologies72Accelerated design of AgNbO 3 -based ceramics with high energy storage performance via machine learning8Harvesting the vibration energy of Ba 0.95 Ca 0.05 Ti 0.9 Sn 0.1 O 3 /g-C 3 N 4 Z-scheme heterojunctions for nitrogen fixation3Heterogeneous piezo-self-Fenton material design: an intersecting solution for pollutant degradation and tumor therapy2Leveraging feature gradient for efficient acquisition function maximization in material composition design3Rationally Designed Air Electrode Boosting Electrochemical Performance of Protonic Ceramic Cells31Structural, Dielectric & Ferroelectric study in lead-free Ba(Ti0.9Sn0.1)O3 ceramics for EMI shielding applications6Unveiling the Origin of Ultrahigh Piezoelectricity in Sb Doped KNN Based Piezoceramics23Doped Zinc Oxide‐Based Piezoelectric Devices for Energy Harvesting and Sensing17Improving energy storage density of Ba1-xCax(Ti0.9Sn0.1)O3 lead-free ceramics by compositional modification of Ca-ion at A-site1Discovery of perovskite oxides with different thermal conductivities on demand by interpretable machine learning3Efficient piezoelectric catalysis of micron-sized lead-free perovskites: Direct correlation between catalytic properties and piezoelectric constants1Prediction of ABX3 Perovskite Formation Energy Using Machine Learning3Machine learning-assisted ZnO-doped photocatalytic degradation of rhodamine B: Prediction, analysis, and optimization9Knowledge discovery and performance-energy optimization in heterogeneous catalytic ozonation via adaptive multi-task learning11Machine learning assisted electrocaloric and pyroelectric performance of Ba0.85Ca0.15Ti0.9Zr0.1O3 ceramic for solid state refrigeration4Modeling of ferroelectric properties of KNN-based ceramics1Interpretable Machine Learning for the Design of (K, Na)NbO 3 -Based Piezoceramics Using Combinatorial and Knowledge-Embedded Descriptors3Progress in chiral organic ferroelectrics5Significantly enhanced piezo-catalytic performance of BaTiO3 nanorods via La-ion doping2Structure-driven prediction and mechanism insights into piezoelectric performance of potassium sodium niobate via interpretable machine learning4Machine learning-driven prognostication of multifunctional properties of (K,Na)NbO3-based lead-free ceramics for optimized materials design3Accelerating Ceramic Materials Development via Machine Learning: A Critical Review0Machine Learning-assisted Design of High-temperature BSPT-based Piezoelectric Ceramics with Enhanced Dual Properties1Modeling, Simulation, and Experimental Evaluation of Underwater Ultrasonic Energy Harvesting and Transmission Using Piezoelectric Transducers4Polarization-field-modulated electrocatalysis and photoelectrocatalysis0Uncertainty-Aware Multi-Target Learning for Electrical and Dielectric Property Prediction of MgCuZn Ferrites0Polarization-driven piezocatalysis and mechanical criteria in ferroelectric materials: From conventional selection to AI-guided design11Machine learning and first-principles guided design of BaTiO3-based materials for capacitor applications0Integrated machine learning and density functional theory to design C₃N₅ piezo-catalysts toward precise control of selective reactive oxygen species and efficient water purification1Photocatalysis under external fields: Opportunities and challenges5Recent advances in flexible piezoelectric composite thin films: Material innovations and performance optimization2Accelerated Discovery of Multifunctional K 0.5 Na 0.5 NbO 3 ‐Based Ceramics via Integrated High‐Throughput Computation and Machine Learning5Data-driven approaches for functional ceramics3An interpretable machine learning framework for predicting Curie temperature of lead-based piezoelectric ceramics2Adaptable piezo-photocatalytic nitrogen fixation via dynamic polarization tuning: Reaction pathway, mechanical criterion and machine learning-augmented engineering0A computational approach to discovering high-performance, lead-free perovskite solar cells using physics-informed neural networks1Pd–Ni bimetallenes in-situ doped MoS2 piezocatalyst for efficient degradation of antibiotics in real water: mechanism and toxicity evaluation1Decoding the multi-scale physical origins of rare-earth-doped PMN-PT with large piezoelectric coefficient by interpretable machine learning0Extended Framework Semiconductors (EFSs): A Unique and Efficient Platform for Synergetic Piezo‐Photocatalysis0Bayesian optimization driven co-regulation of composition design and sintering process parameters for piezoelectric ceramics0Machine learning as a tool for predicting and engineering the next generation of piezoelectric materials0Uncertainty-Aware Automated Machine-Learning Screening of BaTiO3‐Bi(Mg1/2Ti1/2)O3 Candidate Ceramics for X9R Temperature Stability0

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  1. Piezoelectrically Mediated Reactions: From Catalytic Reactions to Organic Transformations

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  2. Selective Enhancement of Photo‐Piezocatalytic Performance in BaTiO 3 Via heterovalent Ion Doping

    Advanced Functional Materials · 2022-10-17

    Chengye Yu, Jingjin He, Mengxi Tan, Yuxuan Hou, Hua Zeng, Chuanbao Liu, Huimin Meng, Yanjing Su, Lijie J. Qiao, Turab Lookman, Yang Bai

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  3. Highly efficient harvesting of vibration energy for complex wastewater purification using Bi5Ti3FeO15 with controlled oxygen vacancies

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  4. Design strategies and effect comparisons toward efficient piezocatalytic system

    Nano Energy · 2022-12-15

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  5. Poling effect on piezocatalytic antibacterial and dye degradation activities of BaTiO3 nanoparticles embedded cotton fabric

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  6. Efficient piezocatalysis of Bi 0.5 (Na 1− x K x ) 0.5 TiO 3 nanoparticles: bridging the phase ratio at MPB composition and piezocatalytic activity

    Journal of Materials Chemistry A · 2023-01-01

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  7. Machine learning-assisted design of AlN-based high-performance piezoelectric materials

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  8. Piezoelectric materials and techniques for environmental pollution remediation

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  9. Dielectric constant prediction of perovskite microwave dielectric ceramics via machine learning

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  10. Effect of frequency and power on the piezocatalytic and sonochemical degradation of dyes in water

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  11. Bi 5 Ti 3 FeO 15 Nanofibers for Highly Efficient Piezocatalytic Degradation of Mixed Dyes and Antibiotics

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  12. Multifunctional ferroelectric catalysis for water splitting: classification, synergism, strategies and challenges

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  13. Highly Efficient Piezocatalytic Activity of Poly(tetrafluoroethylene) for Large-Scale Organic Wastewater Purification

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  14. Defect Engineered Microcrystalline Cellulose for Enhanced Cocatalyst‐Free Piezo‐Catalytic H 2 Production

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  15. Machine learning aided accelerated prediction and experimental validation of functional properties of K1-xNaxNbO3-based piezoelectric ceramics

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  16. High‐performance ferroelectric based materials via high‐entropy strategy: Design, properties, and mechanism

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  17. Critical roles of multiphase coexistence in boosting piezo-catalytic activity of BaTiO3-based piezoelectric ceramics

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  19. Thermal conductivity prediction of sintered reaction bonded silicon nitride ceramics using a machine learning approach based on process conditions

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  20. An interpretable machine learning strategy for pursuing high piezoelectric coefficients in (K0.5Na0.5)NbO3-based ceramics

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  21. Efficient Piezoelectric Catalysis of Micron-Sized Lead-Free Pervoskites: Direct Correlation between Catalytic Properties and Piezoelectric Constants

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  24. PiezoTensorNet: Crystallography informed multi-scale hierarchical machine learning model for rapid piezoelectric performance finetuning

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  31. Piezocatalytic techniques and materials for degradation of organic pollutants from aqueous solution

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  42. Accelerated design of AgNbO 3 -based ceramics with high energy storage performance via machine learning

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  45. Leveraging feature gradient for efficient acquisition function maximization in material composition design

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  48. Unveiling the Origin of Ultrahigh Piezoelectricity in Sb Doped KNN Based Piezoceramics

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  50. Improving energy storage density of Ba1-xCax(Ti0.9Sn0.1)O3 lead-free ceramics by compositional modification of Ca-ion at A-site

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