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Meeting MS&T21: Materials Science & Technology
Symposium Functional Defects in Electroceramic Materials
Sponsorship ACerS Electronics Division
Organizer(s) Hui Xiong, Boise State University
Hua Zhou, Argonne National Laboratory
Scope Defects are ubiquitous in ceramic materials, and can fundamentally alter their chemical, physical, optical, thermal and electronic properties as well as their coupling with each other. Many opportunities exist for defect engineering in electroceramics to tune their properties—at not only the ground state but also excited states under external fields and stimuli—specially in a controlled manner. For example, active research in recent years has converted the otherwise inert transition metal oxides and two-dimensional layered materials to new (photo-)electrochemical active materials by dynamically controlling the oxygen defect concentration and distribution (ordered or disordered) to couple existing physical properties. Nevertheless, harnessing functional defects in electroceramics presents continuous important scientific and technological challenges to materials scientists and engineers; advanced theoretical, simulation and experimental tools are urgently required to characterize, visualize, understand, predict, and control formation and migration of defects and interactions between them. Yet these techniques are largely limited or in some cases unavailable at present. To address the pressing needs and challenges, this symposium aims at highlighting the most recent developments, applications, and forefront breakthroughs in harnessing functional defects in a wide range of electroceramic materials via bridging expertise on theoretical modeling/simulation, materials synthesis, functional measurement/control, and advanced characterizations. Particular attention will be paid to high-throughput studies combining simulations and experiments, predictive modeling of defect physics and chemistry, and the synthesis, control, and advanced characterizations of functional defects in electroceramic materials. This topic may also include novel architectures for studying defects, such as the use of epitaxial heterostructures. Also of interest are, in-situ or operando monitoring of functional defect formation/migration/ordering, the interplay between defect responses in ionic lattices and their manipulation by external fields, and use of transformative imaging capabilities to probe defect-driven phenomena in-situ along with their dynamics. This symposium will provide an interactive forum for scientists from various fields interested in defect engineering for both classical and emerging applications. Specific sessions will be organized based on scientific theme topics in order to foster cross-fertilization of ideas and strategies. We will also host sessions with a focus on recent methodological advances in studying point and extended defects in functional materials. We hope this symposium will benefit ceramists with various backgrounds, and will help encourage the implementation of predictive design, smart synthesis/control and advanced characterization approaches to solve the urgent problems in this field.

Symposium Theme Topics:
• Tailoring functional defects in nanostructures, heterostructures and substrate-supported systems
• Defect-enabled/enhanced properties for (electro-)chemical, light-harvesting, and electronic applications
• Characterizations, control and applications of defect-induced emergent phenomena including phase transformations
• Advances in methodologies of theoretical techniques for predictive modeling of functional defects
• Multi-scale methods to study the role of extended defects on functionality
• Visualizing the generation and manipulation of defects dynamically in bulk, surface, interface and grain boundary of functional ceramic materials
• In-situ and operando characterizations of defects and defect transports in functional ceramic materials
• Structural diagnosis and quantitative analysis on defects from atomic to meso scale and their correlation with properties
• Principles of future development of defect engineering in energy materials

Abstracts Due 04/15/2021
PRESENTATIONS APPROVED FOR THIS SYMPOSIUM INCLUDE

Accelerated Synthesis and In-situ X-ray Pair Distribution Functions of Substituted Vanadium Dioxide
Ceramics Are Brittle. Can Dislocations Change That?
Defect-promoted Sulfur Cathode for Highly Stable Sodium-sulfur Batteries
Dislocation-based Nanomechanics in Functional Oxides: A Case Study on SrTiO3
Dislocations as “Self-dopants” in Functional Oxides, Exemplified for TiO2
Irradiation-enhanced Electrochemical Performance of TiO2 Anode Material
Let Thermodynamics do Interfacial Engineering
Leveraging Structure and Energetics to Enhance Electrochemical Kinetics in Batteries
Modeling the Electrical Double Layer at Solid-state Electrochemical Interfaces
Now On-Demand Only - Understanding Lithium Plating in Graphite and Silicon for Fast Charging Li-ion Battery


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