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3.4 Panel 4 Report — Discovery, Synthesis, and Design Strategies for Materials, Structures, and Architectures This panel discussion summarizes the status of advances in the fields of prediction, synthesis, and characterization of energy storage materials. By no means does this serve as a complete review, as it is intended to highlight important future research opportunities. In particular, it calls for a collaborative multilevel approach to identify new tailored architectures by using novel synthetic routes guided by input from theory and computational predictions. 3.4.1 CURRENT STATUS AND RECENT ADVANCES What Is Known and What We Need to Know: Batteries are complex electrochemical reactors. Their theoretical performance is determined by the redox-active materials at each electrode and is broadly enabled by ion conduction by the electrolyte. Although battery technology has been deployed commercially for many years, the fundamental science and engineering of batteries—both of its individual components and the overall architectures—is still lacking fundamental understanding. Traditionally, the push for more efficient energy storage has been mainly driven by the search for new active materials and electrolyte formulations for Li-ion technologies. Although some promising alternative chemistries are currently extensively investigated, a commercially proven game-changer that replaces Li-ion chemistry has not yet emerged.1 With energy storage on the threshold of transformational change, there is an urgent need to continue the search for alternatives. Newer scientific approaches that are strongly centered on computational efforts have been successful in providing candidate materials and suggesting alternative research directions that cannot be achieved by purely empirical (trial-and-error) synthesis routes. These and new emerging computational approaches are leading to discovery of increasingly complex, highly functional materials for battery components. Importantly, these materials may, in part, exist as metastable phases, of which some are only present during operating conditions. Moreover, one of the key questions is how one would synthesize these new materials, as traditional routes may not be adequate, especially if metastable phases and/or complex architectures are to be realized. Thus, there is an urgent need for further integration between experiment and theory and computation to accelerate materials discovery and theoretically guided synthesis. But how far away is the current state from achieving these objectives? A brief tour through the main battery components will clarify the way and point out the challenges. The following sections review the state-of-the-art in the main battery components: electrodes, electrolytes, and interfaces. Characterizing and designing each of these components and their assemblies are of utmost importance for realizing a new generation of high performance batteries. Electrolytes: from Liquids to Solids through New Concepts: Recent studies in Li-based batteries have demonstrated that high salt concentrations can help reduce the parasitic reactions between the electrolyte and electrodes during electrochemical cell cycling, thus extending battery life.2,3 This is due to changes in solvation structure around Li+ ions and interfacial reactions with electrodes. Furthermore, the 1.23-V electrochemical window of aqueous electrolytes is increased to 3 V by the “water-in-salt” approach.2 NEXT GENERATION ELECTRICAL ENERGY STORAGE Figure 3.4.1. Unique solvated structure in superconcentrated electrolyte of sodium bis(trifluoromethanesulfonyl)imide in dimethyl sulfoxide. From Ref. 6. PANEL 4 REPORT 115PDF Image | Next Generation Electrical Energy Storage
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