The initial stage of OH adsorption on Ni(111)

被引：9
|
作者：
Juarez, Fernanda [1 ]
Salmazo, Debora [1 ,4 ]
Savinova, Elena R. [4 ]
Quaino, Paola [3 ]
Belletti, Gustavo [3 ]
Santos, Elizabeth [1 ,2 ]
Schmickler, Wolfgang [1 ]
机构：
[1] Ulm Univ, Inst Theoret Chem, D-89069 Ulm, Germany
[2] Univ Nacl Cordoba, IFEG, CONICET, FAMAF, Cordoba, Argentina
[3] Univ Nacl Litoral, Inst Quim Aplicada Litoral, CONICET, FIQ, Santa Fe, Argentina
[4] Univ Strasbourg, Inst Chim & Proc Energie Environm & Sante, ECPM, Strasbourg, France
来源：
JOURNAL OF ELECTROANALYTICAL CHEMISTRY | 2019年 / 832卷
关键词：
OH adsorption; Molecular dynamics; Free energy surface; Adsorbate solvation; DENSITY-FUNCTIONAL THEORY; MOLECULAR-DYNAMICS; WORK FUNCTION; OXIDATION; SURFACE; NICKEL; WATER; REDUCTION; DISSOCIATION; HYDROXIDES;
D O I：
10.1016/j.jelechem.2018.10.047
中图分类号：
O65 [分析化学];
学科分类号：
070302 ; 081704 ;
摘要：
The adsorption of OH on Ni(111) has been investigated by a combination of density functional theory and classical molecular dynamics. At low coverage, the adsorption is strong, the adsorbate carries almost unit negative charge, and interacts strongly with water. Because of their high charges, adsorbed OH species repel each other, and adsorption becomes less favorable with increasing coverage. Adsorption on Ni(111) is contrasted with that on Pt(111).
引用
收藏
页码：137 / 141
页数：5
相关论文
共 50 条
  • [21] KINETICS OF THE ADSORPTION OF CO ON NI(111)
    FROITZHEIM, H
    KOHLER, U
    SURFACE SCIENCE, 1987, 188 (1-2) : 70 - 86
  • [22] COMPARISON OF BENZENE ADSORPTION ON NI(111) AND NI(100)
    MYERS, AK
    SCHOOFS, GR
    BENZIGER, JB
    JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (09): : 2230 - 2232
  • [23] CO adsorption and dissociation on Pt(111) and Ni(111) surfaces
    Natl Inst for Advanced, Interdisciplinary Research, Ibaraki, Japan
    Surf Sci, 1-3 (67-72):
  • [24] CO adsorption and dissociation on Pt(111) and Ni(111) surfaces
    Morikawa, Y
    Mortensen, JJ
    Hammer, B
    Norskov, JK
    SURFACE SCIENCE, 1997, 386 (1-3) : 67 - 72
  • [25] Initial stages of Mn adsorption on Ge(111)
    Zeng, CG
    Zhu, WG
    Erwin, SC
    Zhang, ZY
    Weitering, HH
    PHYSICAL REVIEW B, 2004, 70 (20) : 205340 - 1
  • [26] INITIAL-STAGE OF AU ADSORPTION ONTO A SI(111) SURFACE STUDIED BY SCANNING TUNNELING MICROSCOPY
    HASEGAWA, T
    TAKATA, K
    HOSAKA, S
    HOSOKI, S
    JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B, 1991, 9 (02): : 758 - 760
  • [27] Initial-stage behaviors of tin and lead adsorption on vanadium surface oxide nanomesh on Pd(111)
    Chan, Lap Hong
    Hayazaki, Shinji
    Ogawa, Kokushi
    Yuhara, Junji
    SURFACE SCIENCE, 2013, 613 : 35 - 39
  • [28] INFRARED STUDIES OF ETHYLENE ADSORPTION ON NI(111)
    COOPER, E
    RAVAL, R
    SURFACE SCIENCE, 1995, 331 : 94 - 99
  • [29] ABINITIO INVESTIGATION OF METHYL ADSORPTION ON NI(111)
    SCHULE, J
    PANAS, I
    SIEGBAHN, P
    WAHLGREN, U
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1988, 47 : 151 - 153
  • [30] Cyclohexanethiol adsorption and reaction on the Ni(111) surface
    Kane, SM
    Gland, JL
    JOURNAL OF PHYSICAL CHEMISTRY B, 1998, 102 (27): : 5322 - 5328
12345