Theoretical study of ZnO(1 0 1¯ 0) and M/ZnO(1 0 1¯ 0) (M = Cu, Ag and Au) surfaces with DFT approach

► Quantum effects like spilling effect and Friedel oscillation effect exists. ► Cu and Ag are energetically favorable to connect with O atoms but Au with Zn atom. ► All of the bond between noble metal and the surface are mainly of covalent.