Surface alloying of immiscible metals induced by surface state shift |
| |
Authors: | XK ShuP Jiang JG Che |
| |
Institution: | Department of Physics, Fudan University, Shanghai 200433, People’s Republic of China |
| |
Abstract: | By using first principles calculations, it is found that the noble metal atoms Ag, Au and Cu would like to occupy the vacancy sites of the W(0 0 1) or Mo(0 0 1) surface to form the substitutional surface alloys, despite the fact that they do not like to form alloy in the bulk. The electronic local function (ELF) for these substitutional surface alloys shows that there is no obvious chemical bonding between the noble metals and W or Mo. The analysis of electronic structures lets us conclude that the surface alloying of immiscible metals may originate from the surface state shift of W (or Mo) induced by changes of the electronic environment of surface W (or Mo) when surface W (or Mo) atoms are alternatively replaced by Ag (Au or Cu). |
| |
Keywords: | Density functional calculations Surface energy Surface structure morphology roughness and topography Silver Gold Copper Tungsten Molybdenum |
本文献已被 ScienceDirect 等数据库收录! |