Thickness-Dependent Hydroxylation of MgO(001) Thin Films

被引：54
|
作者：
Carrasco, Esther [1 ]
Brown, Matthew A. [1 ]
Sterrer, Martin [1 ]
Freund, Hans-Joachim [1 ]
Kwapien, Karolina [2 ]
Sierka, Marek [2 ]
Sauer, Joachim [2 ]
机构：
[1] Fritz Haber Inst Max Planck Gesellschaft, Dept Chem Phys, D-14195 Berlin, Germany
[2] Humboldt Univ, Dept Chem, D-10099 Berlin, Germany
来源：
JOURNAL OF PHYSICAL CHEMISTRY C | 2010年 / 114卷 / 42期
关键词：
DENSITY-FUNCTIONAL THEORY; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; WATER DISSOCIATION; AB-INITIO; ELECTRONIC-STRUCTURE; AMBIENT CONDITIONS; MGO(100) SURFACES; AQUEOUS-SOLUTIONS; MGO SURFACE;
D O I：
10.1021/jp105294e
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：
Hydroxylation of MgO surfaces has been studied from UHV to mbar pressure for MgO(001) films of different thickness grown on Ag(001) by X-ray photoelectron spectroscopy, infrared reflection absorption spectroscopy, and density functional theory calculations. In agreement with earlier studies on MgO(001) single crystals, a threshold water pressure on the order of 10(-4) mbar is found for extensive hydroxylation of thick, bulklike MgO films. Decreasing the MgO film thickness shifts the threshold pressure to lower values, being 10(-6) mbar in the limit of 2 monolayer MgO(001)/Ag(001). This result is explained on the basis of the precursor state of periclase MgO(001) dissolution involving hydrolysis of Mg-O surface bonds. The enhanced structural flexibility (polaronic distortion) of the ultrathin MgO film facilitates surface hydroxylation by lowering the barrier for hydrolysis.
引用
收藏
页码：18207 / 18214
页数：8
相关论文
共 50 条
  • [21] Thickness-Dependent Thermal Oxidation of Ni into NiO Thin Films
    Patta Ravikumar
    Dolly Taparia
    Perumal Alagarsamy
    Journal of Superconductivity and Novel Magnetism, 2018, 31 : 3761 - 3775
  • [22] THICKNESS-DEPENDENT ABSORPTION IN LEAD PHTHALOCYANINE THIN-FILMS
    HONIG, J
    PHYSICA STATUS SOLIDI A-APPLIED RESEARCH, 1985, 92 (01): : K7 - K10
  • [23] Thickness-dependent properties of sprayed cobalt oxide thin films
    Kadam, LD
    Patil, PS
    MATERIALS CHEMISTRY AND PHYSICS, 2001, 68 (1-3) : 225 - 232
  • [24] Thickness-dependent nonlinear optical properties of ITO thin films
    Fatma Abdel Samad
    M. Sh. Abdel-wahab
    Wael Z. Tawfik
    Hamza Qayyum
    Retna Apsari
    Tarek Mohamed
    Optical and Quantum Electronics, 2023, 55
  • [25] Thickness-dependent (001) orientation and surface morphology of rapid-annealed FePt thin films on a glass substrate
    Liu, S. H.
    Chou, C. L.
    Hsiao, S. N.
    Chen, S. K.
    Lee, H. Y.
    VACUUM, 2015, 121 : 305 - 309
  • [26] Thickness-dependent magnetic domain change in epitaxial MnAs films on GaAs(001)
    Ryu, Kwang-Su
    Kim, JinBae
    Lee, YoungPak
    Akinaga, Hiro
    Manago, Takashi
    Viswan, Ravindranath
    Shin, Sung-Chul
    APPLIED PHYSICS LETTERS, 2006, 89 (23)
  • [27] Thickness-dependent magnetic anisotropy in ultrathin Fe/Co/Cu(001) films
    Hong, Jisang
    PHYSICAL REVIEW B, 2006, 74 (17):
  • [28] Thickness-dependent electronic structure in WTe2 thin films
    Xiang, Fei-Xiang
    Srinivasan, Ashwin
    Du, Z. Z.
    Klochan, Oleh
    Dou, Shi-Xue
    Hamilton, Alex R.
    Wang, Xiao-Lin
    PHYSICAL REVIEW B, 2018, 98 (03)
  • [29] Thickness-dependent properties of FeTaN thin films deposited on flexible substrate
    Liu, Z.W.
    Liu, Y.
    Yan, L.
    Tan, C.Y.
    Ong, C.K.
    Journal of Applied Physics, 1600, 99 (04):
  • [30] Thickness-dependent properties of FeTaN thin films deposited on flexible substrate
    Liu, ZW
    Liu, Y
    Yan, L
    Tan, CY
    Ong, CK
    JOURNAL OF APPLIED PHYSICS, 2006, 99 (04)
12345