Structure Determination of Au on Pt(111) Surface: LEED, STM and DFT Study

Materials

Katarzyna Krupski¹  Marco Moors²  Paweł Jóźwik⁴  Tomasz Kobiela³  Aleksander Krupski¹ 

[1] Department of Physics, University of Warwick, Coventry CV4 7AL, UK; E-Mail:;Peter Grünberg Institut, Forschungszentrum Jülich, Wilhelm-Johnen-Str., 52425 Jülich, Germany; E-Mail:;Faculty of Chemistry, Warsaw University of Technology, ul. Noakowskiego 3, 00-664 Warsaw, Poland; E-Mail:;Department of Advanced Materials and Technologies, Faculty of Advanced Technologies and Chemistry, Military University of Technology, Kaliskiego 2 Str., 00-908 Warszawa, Poland; E-Mail:

关键词: density functional theory calculations;    scanning tunneling microscopy;    low-energy electron diffraction;    surface structure;    metallic surfaces;    gold;    platinum;    metal-metal interfaces;    low index single crystal surface;   

DOI  :  10.3390/ma8062935

来源: mdpi

【 摘 要 】

Low-energy electron diffraction (LEED), scanning tunneling microscopy (STM) and density functional theory (DFT) calculations have been used to investigate the atomic and electronic structure of gold deposited (between 0.8 and 1.0 monolayer) on the Pt(111) face in ultrahigh vacuum at room temperature. The analysis of LEED and STM measurements indicates two-dimensional growth of the first Au monolayer. Change of the measured surface lattice constant equal to 2.80 Å after Au adsorption was not observed. Based on DFT, the distance between the nearest atoms in the case of bare Pt(111) and Au/Pt(111) surface is equal to 2.83 Å, which gives 1% difference in comparison with STM values. The first and second interlayer spacing of the clean Pt(111) surface are expanded by +0.87% and contracted by −0.43%, respectively. The adsorption energy of the Au atom on the Pt(111) surface is dependent on the adsorption position, and there is a preference for a hollow fcc site. For the Au/Pt(111) surface, the top interlayer spacing is expanded by +2.16% with respect to the ideal bulk value. Changes in the electronic properties of the Au/Pt(111) system below the Fermi level connected to the interaction of Au atoms with Pt(111) surface are observed.

【 授权许可】

CC BY   
© 2015 by the authors; licensee MDPI, Basel, Switzerland.