Surface Driven Formation of ROS on α Ag₂WO₄ (110): First Principles Insights for Greener Sulfide Oxidation

The selective oxidation of sulfides to sulfoxides and sulfones represents a pivotal transformation in green chemistry however, conventional methods often require harsh synthetic conditions to generate the reactive oxygen species ( responsible for driving the reaction 1 Dark and low temperature oxidation was examined using individual tungstate catalysts (MWO₄ M Cu, Cd, Co, Mn, Ni, Zn, and α Ag₂WO ₄) 2 α Ag₂WO ₄ exhibited the fastest and most complete conversion of sulfides to sulfones Scavenger and probe assays linked this performance to efficient ¹O₂ generation on its surface, but the molecular mechanism enabling this proficiency remains unclear