Jiayan Xu

Temperature-Induced Reorganization of Supported Zn$_3$ Clusters on Cu(111): From Minimum-Energy Structures to Finite-Temperature Ensembles

Understanding the nature of catalytic active sites under reaction conditions remains a central challenge in heterogeneous catalysis. In industrial copper/zinc oxide/alumina catalysts for methanol synthesis, small Zn-based species at the Cu interface have long been proposed as active-site candidates, yet their atomic-sc...