Chemical Bonding Engineering: Insights into Physicochemical Performance Optimization for Energy-Storage/Conversion

作者：Zhifang Zhou, Rui Wei, Xuefan Zhou, Yuan Liu, Dou Zhang, Yuanhua Lin · 发表于：Accounts of Materials Research · 年份：2024 · DOI：10.1021/accountsmr.4c00243 · 被引用次数：17 · 研究领域：Advanced Battery Materials and Technologies、Advanced Thermoelectric Materials and Devices、Advancements in Battery Materials

High Resolution Image Download MS PowerPoint Slide Conspectus Chemical bonding is fundamental in determining the physicochemical properties of the materials. Establishing correlations between chemical bonding and these properties may help identify potential materials with unique advantages or guide the composition design for improving the performance of functional materials. However, there is a lack of literature addressing this issue. This Account examines how chemical bonding engineering affects the performance optimization of four widely used or investigated functional materials that are applied in energy-storage/conversion fields, including thermoelectrics, piezoelectrics, lithium-ion batteries (LIBs), and catalysts. The key issues of these materials and correlations between chemical bonding and properties are briefly summarized. First, electron–phonon coupling hinders thermoelectric performance optimization, representing one of the main issues in the thermoelectric field that needs to be addressed. The role of chemical bonding engineering in electronic and phonon transport is discussed, highlighting how factors such as covalency, electronegativity differences, bond strength, and bond length affect carrier mobility and lattice thermal conductivity. We found that electronic and phonon transport properties can be tuned by modifying the chemical bonding of thermoelectric materials. Second, the performance of perovskite piezoelectric materials is governed by their phase struc...