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RESEARCH PAPER · Advanced Materials · 2021

Phase–Property Diagrams for Multicomponent Oxide Systems toward Materials Libraries

Leonardo Velasco, Juan S. Castillo, Mohana Veerraju Kante, Jhon Jairo Olaya, Pascal Friederich, Horst Hahn

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Phase–Property Diagrams for Multicomponent Oxide Systems toward Materials LibrariesOriginalHigh‐Entropy Energy Materials in the Age of Big Data: A Critical Guide to Next‐Generation Synthesis and Applications107Bayesian optimization in continuous spaces via virtual process embeddings11Prospects and challenges for autonomous catalyst discovery viewed from an experimental perspective46Studying Complex Evolution of Hyperelastic Materials under External Field Stimuli using Artificial Neural Networks with Spatiotemporal Features in a Small‐Scale Dataset35Powder X‐Ray Diffraction Pattern Is All You Need for Machine‐Learning‐Based Symmetry Identification and Property Prediction55Prediction of Phase Diagrams and Associated Phase Structural Properties19High‐entropy oxide: A future anode contender for lithium‐ion battery120Challenges and Opportunities of Chemiresistors Based on Microelectromechanical Systems for Chemical Olfaction52High Entropy Approach to Engineer Strongly Correlated Functionalities in Manganites65Graph neural networks for materials science and chemistry860High Entropy Oxides0Phase stability studies on transition metal phosphates aided by an automated synthesis7Synthesis and characterization of dense, rare-earth based high entropy fluorite thin films18A High-Entropy Oxide as High-Activity Electrocatalyst for Water Oxidation196High‐Throughput Screening of High‐Entropy Fluorite‐Type Oxides as Potential Candidates for Photovoltaic Applications60A Deep Learning Approach to Powder X‐Ray Diffraction Pattern Analysis: Addressing Generalizability and Perturbation Issues Simultaneously29Predicting the particle-agglomeration effect on the equivalent mechanical properties of dispersion nuclear fuel by machine learning16Synthesis methods and applications of high entropy nanoparticles32Multi-scale optimization of selectively magnetized isotropic carbon fiber fabrics for microwave absorption using machine learning12Phase stability of high entropy oxides: A critical review137Fundamental comprehension, synthetic procedures and catalytic applications of high entropy oxide nanomaterials70Machine learning-based evaluation of functional characteristics of Li-rich layered oxide cathode materials using the data of XPS and XRD spectra16Room‐Temperature Synthesis of a Compositionally Complex Rare‐Earth Carbonate Hydroxide and its Conversion into a Bixbyite‐Type High‐Entropy Sesquioxide4Accelerating Materials Discovery: Automated Identification of Prospects from X‐Ray Diffraction Data in Fast Screening Experiments11High-entropy oxides for energy storage and conversion67Novelty Detection in the Design of Synthesis of Energy Storage Materials: a Case Study of Garnet-Structured Solid Electrolytes1Acceleration of optimizing the dielectric properties of (Ca 0.7 Nd 0.2 ) 1− x (Li 0.5 Nd 0.5 ) x Ti 1− y (Mg 1/3 Nb 2/3 ) y O 3 with the aid of machine learning9High-entropy oxides for energy-related electrocatalysis36Challenges and Strategies for Synthesizing High Performance Micro and Nanoscale High Entropy Oxide Materials27High-entropy materials for energy and electronic applications448Novelty detection in the design of synthesis of garnet-structured solid electrolytes6Oxide ceramics of A2M3O12 family with negative and close-to-zero thermal expansion coefficients: Machine learning-based modeling of functional characteristics12Deep learning for symmetry classification using sparse 3D electron density data for inorganic compounds5Employing Deep Neural Networks and High‐Throughput Computing for the Recognition and Prediction of Vein‐Like Structures1Machine Learning Accelerated Discovery of Entropy-Stabilized Oxide Catalysts for Catalytic Oxidation58Toward predictable phase structures in high-entropy oxides: A strategy for screening multicomponent compositions18High-entropy battery materials: Revolutionizing energy storage with structural complexity and entropy-driven stabilization33Machine Learning Assisted Prediction and Synthesis of New High-Entropy Flourite Oxide0Influence of oxygen vacancies on dielectric properties and phase transition of rutile-type (TiVCrNbTa)O22A Perspective on the Origin of High‐Entropy Solid Electrolytes22The road to high-entropy: Combinatorial sequential doping study of Ba2In2O53Artificial Intelligence‐Driven Approaches in Semiconductor Research44Innovative Approaches to Utilizing High‐Entropy Oxide Materials in Lithium‐Ion Batteries10Machine learning-driven design of high-entropy alloys: Phase prediction, performance optimization, and challenges19Advanced Microwave Absorption in Woven Structures: The Role of Conductivity-Polarization Loss Synergy1Descriptors for Predicting Single- and Multi-Phase Formation in High-Entropy Oxides: A Unified Framework Approach20Clean Energy and Electrocatalysis1Synthesis‐Driven Functionality in High‐Entropy Materials34A Machine Learning Approach to Determine the Band Gap Energy of High-Entropy Oxides Using UV-Vis Spectroscopy0Informatics for thermodynamics: Stability to synthesizability0Thermodynamics of compositionally complex (“high-entropy”) oxides – A-site mixed (5R0.2)CoO3-δ (R = rare-earth element) perovskite-type cobaltites1Foehn: An open-hardware asynchronous scheduling hub for high-throughput liquid-handling workflow0Redox behavior and phase stability in binary, ternary, and high-entropy oxide solid solutions0Stability and methodological feasibility of A-site doping in B-site modified Ba2In2O50Machine learning assisted prediction and synthesis of new high-entropy fluorite oxide0Laser surface remelting influences tribological behaviour of additively manufactured CoCrWMo alloy for load-bearing implant applications0High-Entropy Metal Nanomaterials for Energy Conversion and Environmental Remediation: Fundamentals, Design Strategies, and Future Directions1High-entropy oxides for oxygen reduction reaction: Linking the composition, defects, and electronic structure with catalytic activity0

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