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Creators/Authors contains: "Bai, Qiang"

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  1. Ceramics are an important class of materials with widespread applications because of their high thermal, mechanical, and chemical stability. Computational predictions based on first principles methods can be a valuable tool in accelerating materials discovery to develop improved ceramics. It is essential to experimentally confirm the material properties of such predictions. However, materials screening rates are limited by the long processing times and the poor compositional control from volatile element loss in conventional ceramic sintering techniques. To overcome these limitations, we developed an ultrafast high-temperature sintering (UHS) process for the fabrication of ceramic materials by radiative heating under an inert atmosphere. We provide several examples of the UHS process to demonstrate its potential utility and applications, including advancements in solid-state electrolytes, multicomponent structures, and high-throughput materials screening. 
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  2. Abstract Sodium‐ion batteries have attracted extensive interest as a promising solution for large‐scale electrochemical energy storage, owing to their low cost, materials abundance, good reversibility, and decent energy density. For sodium‐ion batteries to achieve comparable performance to current lithium‐ion batteries, significant improvements are still required in cathode, anode, and electrolyte materials. Understanding the functioning and degradation mechanisms of the materials is essential. Computational techniques have been widely applied in tandem with experimental investigations to provide crucial fundamental insights into electrode materials and to facilitate the development of materials for sodium‐ion batteries. Herein, the authors review computational studies on electrode materials in sodium‐ion batteries. The authors summarize the current state‐of‐the‐art computational techniques and their applications in investigating the structure, ordering, diffusion, and phase transformation in cathode and anode materials for sodium‐ion batteries. The unique capability and the obtained knowledge of computational studies as well as the perspectives for sodium‐ion battery materials are discussed in this review. 
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