Chemisorption of sulfur and sulfur-based simple molecules on Au(111)

被引:21
|
作者
Gonzalez-Lakunza, Nora
Lorente, Nicolas
Arnau, Andres
机构
[1] Mat Fis Saila Univ Basque Country, Kimika Fak, Donostia San Sebastian, Spain
[2] Univ Toulouse 3, CNRS, Lab Collis Agregats React, UMR 5589, F-31062 Toulouse, France
[3] Univ Basque Country, CSIC, Ctr Mixto, Unidad Fis Mat, Donostia San Sebastian 20018, Spain
来源
JOURNAL OF PHYSICAL CHEMISTRY C | 2007年 / 111卷 / 33期
关键词
D O I
10.1021/jp0726586
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A detailed study of the S-Au bond in different S and Au environments is presented. We find that the essential features of the S-Au bond are already contained in the simplest system, i.e., the S-Au dimer. A comparison of S, SH, and SCH3 adsorption on Au(111) reveals that functionalization of the S atom with -H or -CH3 influences only the adsorption geometry but not the character of the S-Au bond. On the basis of calculations at T = 0 K using a c(4 x 2) supercell, which contains four molecules, we also conclude that no significant interaction between adjacent molecules appears and, therefore, there is no tendency to dimerize or to form structures energetically more favorable than the (root 3 x root 3 )R30 degrees.
引用
收藏
页码:12383 / 12390
页数:8
相关论文
共 50 条
  • [1] Chemistry of sulfur-containing molecules on Au(111): thiophene, sulfur dioxide, and methanethiol adsorption
    Liu, G
    Rodriguez, JA
    Dvorak, J
    Hrbek, J
    Jirsak, T
    SURFACE SCIENCE, 2002, 505 (1-3) : 295 - 307
  • [2] Sulfur electroadsorption on Au(111)
    Vericat, C
    Vela, ME
    Gago, J
    Salvarezza, RC
    ELECTROCHIMICA ACTA, 2004, 49 (22-23) : 3643 - 3649
  • [3] Sulfur-based breakdown of oil
    不详
    MATERIALS PERFORMANCE, 1996, 35 (06) : 51 - 51
  • [4] MXenes for Sulfur-Based Batteries
    Wang, Yizhou
    Guo, Tianchao
    Alhajji, Eman
    Tian, Zhengnan
    Shi, Zixiong
    Zhang, Yi-Zhou
    Alshareef, Husam N.
    ADVANCED ENERGY MATERIALS, 2023, 13 (04)
  • [5] Effect of metal decoration on sulfur-based gas molecules adsorption on phosphorene
    Wang, Yonghu
    Lei, Shuangying
    Gao, Ran
    Sun, Xiaolong
    Chen, Jie
    SCIENTIFIC REPORTS, 2021, 11 (01)
  • [6] Effect of metal decoration on sulfur-based gas molecules adsorption on phosphorene
    Yonghu Wang
    Shuangying Lei
    Ran Gao
    Xiaolong Sun
    Jie Chen
    Scientific Reports, 11
  • [7] Sulfur-based nanostructures for lithium-sulfur battery applications
    Liu, Tingting
    Lee, T. Randall
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 254
  • [8] NOVEL SULFUR-BASED ORGANIC SUPERCONDUCTORS
    WILLIAMS, JM
    JOURNAL OF METALS, 1985, 37 (11): : A8 - A8
  • [10] Ordered structures of two sulfur containing donor molecules on the Au(111) surface
    Fiedler, Benjamin
    Rojo-Wiechel, Elena
    Klassen, Johann
    Simon, Julia
    Beck, Johannes
    Sokolowski, Moritz
    SURFACE SCIENCE, 2012, 606 (23-24) : 1855 - 1863