Can single-atom precision rewire the electrochemical logic of Li–S chemistry? A comprehensive review of single-atom catalysts as agents of precise modulation
Yue Wang, Haobin Song, Nan Zhao, Xi Cheng, Dong‐Sheng Li, Hui Ying Yang
Abstract
S. These insights are supported by spectroscopic characterization and theoretical calculations. Beyond conventional activity descriptors, we uncover structure-activity correlations involving d-band shifts, orbital hybridization, and electronic field effects. The concluded framework is further applied to sodium-sulfur, potassium-sulfur, and solid-state lithium-sulfur systems, demonstrating broad applicability. This review advances the understanding of SACs from passive adsorption sites toward programmable redox regulation. It provides conceptual and design guidance for future catalyst development based on adaptive coordination environments and data-driven optimization strategies.