School of Metallurgy Engineering;
Xi’an University of Architecture and Technology;
Xi’an 710055;
China;
National and Local Joint Engineering Research Center for Functional Materials Processing;
Xi’an University of Architecture and Technology;
Xi’an 710055;
China;
Jinduicheng Molybdenum Co.;
Ltd.;
Xi’an;
710077;
China;
Northwest Institute for Non-ferrous Metal Research;
Xi’an;
710016;
China;
First-principle calculations; Density functional theory; Oxygen; Adsorption; Diffusion; Metal surfaces;