Recent progress of density functional theory studies on carbon-supported single-atom catalysts for energy storage and conversion

作者：Hengjia Shao, Xiaojing Li, Xingqiao Wu, Yunxiao Wang, Sean C. Smith, Xin Tan · 发表于：Chemical Communications · 年份：2024 · DOI：10.1039/d4cc05900j · 被引用次数：20 · 研究领域：Electrocatalysts for Energy Conversion、Catalytic Processes in Materials Science、CO2 Reduction Techniques and Catalysts

reduction reaction, nitrogen reduction reaction, and electrosynthesis of urea, and electrochemical energy storage systems such as monovalent metal-sulfur batteries (Li-S and Na-S batteries). Finally, the current challenges and future opportunities in this emerging field are highlighted. This review will provide a helpful guideline for the rational design of the structure and functionality of CS-SACs, and contribute to material optimizations in applications of energy storage and conversion.