Abstract:The research of alloy catalyst has become a research focus.Cu/Ag alloy is more easily controllable in composition,and its catalytic activity can be enhanced through the synergistic effect among the components.At the same time,the cost of catalyst is reduced,which makes it more practical in the field of catalysis.In this paper,the energy band and density of states of Cu/Ag with different structures are calculated by Material Studio software,and the stability of water molecules adsorption with different structures is studied.The results show that the adsorption energy of structure with silver at the top and silver at the bottom is negative.When the water molecule is adsorbed on copper or silver atoms,the adsorption system is stable,indicating that the structure has the best electrocatalytic performance.