The adsorption of Pt/Au on the surface of ZnO is investigated in this paper, which discusses possible adsorption sites, electronic properties as well as optical adsorption spectrum. Results show that the stable adsorption site of Pt atom is T. O site and Au atom is more suitable for B site. Pt/Au noble metal is adsorbed on the surface of ZnO by the van der Waals bonds, and do not form a conventional Schottky contact. The adsorption of Pt will narrow the band gap to 0.06 eV to form a semiconductor, and Au adsorption makes it metal. Obviously infrared absorption peak appears in the absorption spectrum along with Pt/Au adsorbed on the surface.

中文翻译：

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ZnO表面上Pt / Au表面吸附的第一性原理研究

研究了Pt / Au在ZnO表面的吸附情况，讨论了可能的吸附位置，电子性质以及光学吸附光谱。结果表明，Pt原子的稳定吸附位为T. O位，Au原子更适合B位。Pt / Au贵金属通过范德华键吸附在ZnO的表面上，不会形成常规的肖特基接触。Pt的吸附会将带隙缩小到0.06 eV，从而形成半导体，而Au吸附使其成为金属。显然，红外吸收峰与吸收在表面的Pt / Au一起出现在吸收光谱中。