The influence of crystal faces on corrosion behavior of copper surface: First-principle and experiment study

被引：24
作者：
Zhang, Zhengwei [1 ]
Wang, Qiang [1 ]
Wang, Xu [1 ]
Gao, Lin [1 ]
机构：
[1] Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Key Lab Plant Resources & Chem Arid Zones, Urumqi 830011, Peoples R China
来源：
APPLIED SURFACE SCIENCE | 2017年 / 396卷
关键词：
Copper; Crystal face; Corrosion; First-principle; 2-MERCAPTOBENZOTHIAZOLE; INHIBITION; ADSORPTION; ELECTRODE;
D O I：
10.1016/j.apsusc.2016.11.020
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：
When the MBT- : Cl- ratio is 50-10:1 in a solution containing of NaCl and Na-MBT (sodium salt of 2-mercaptobenzothiazole), the copper sample-1 (S1) was passivated; when the ration is 10-5:1, it was corroded. The copper sample-2 (S2) had no anti-corrosive ability in all solutions with MBT-:Cl- = 50-5:1. First-principle calculation revealed that the Cu atoms of (220) face, the main face of Sl, have more unsaturated and energetic electrons than that of (200) and (111) faces, the main faces of S2. The highest chemical activation of the (220) face leads the S1 surface to show a better anti-corrosive ability. (C) 2016 Elsevier B.V. All rights reserved.
引用
收藏
页码：746 / 753
页数：8
相关论文
共 50 条
  • [41] The first-principle study oleic acid/hydrazine exciting the growth of TiO2 (100) crystal face
    Wang, Yanqing
    Wu, Beicheng
    Liu, Zengguang
    Gu, Huwei
    SURFACE INNOVATIONS, 2018, 6 (1-2) : 31 - 36
  • [42] First-principle calculations of the adsorption, dissociation and diffusion of hydrogen on the mg(0001) surface
    Wu Guang-Xin
    Zhang Jie-Yu
    Wu Yong-Quan
    Li Qian
    Chou Kuo-Chih
    Bao Xin-Hua
    ACTA PHYSICO-CHIMICA SINICA, 2008, 24 (01) : 55 - 60
  • [43] First-Principle Modelling of Forsterite Surface Properties: Accuracy of Methods and Basis Sets
    Demichelis, Raffaella
    Bruno, Marco
    Massaro, Francesco R.
    Prencipe, Mauro
    De La Pierre, Marco
    Nestola, Fabrizio
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2015, 36 (19) : 1439 - 1445
  • [44] First-principle study on structural, linear and nonlinear optical properties of selenocyanate complex ZnCd(SeCN)4 crystal
    Ma, Yue
    Song, Qingxiang
    Wang, Jingying
    Li, Yingfeng
    Wang, Xinqiang
    Du, Zishen
    Deng, Xuejian
    Khalid, Shah
    Zhu, Jianwei
    Lu, Guiwu
    COMPUTATIONAL MATERIALS SCIENCE, 2019, 168 : 154 - 163
  • [45] First-Principle Study on Electronic Structure and Magnetism in Doped MgO Materials
    Peimeng Liu
    Min Wang
    Jie Ren
    Jia Liu
    Mengqing Xu
    Xiujuan Huang
    Zhuo Yu
    Tiege Zhou
    Journal of Superconductivity and Novel Magnetism, 2022, 35 : 2037 - 2045
  • [46] The Ferromagnetic Study of ZnO: (Mn, N) Based on the First-Principle Calculation
    Han, Hongqiang
    Zhang, Bin
    JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2022, 35 (07) : 2069 - 2077
  • [47] First-principle study of optical properties of (N, Ga) codoped ZnO
    Xie, Fang-wei
    Yang, Ping
    Li, Pei
    Zhang, Li-qiang
    OPTICS COMMUNICATIONS, 2012, 285 (10-11) : 2660 - 2664
  • [48] First-principle study on electronic structures and optical properties of Au-Cu intermetallic compounds
    Lu, Jie
    Chen, Yanghua
    Zhang, Ying
    Xu, Meng
    MATERIALS TODAY COMMUNICATIONS, 2022, 33
  • [49] First-Principle Study of Atomic Hydrogen Interaction with a Fluorinated Corannulene Radical
    Zhang, Hong
    Smith, Sean C.
    Nanbu, Shinkoh
    Nakamura, Hiroki
    AUSTRALIAN JOURNAL OF CHEMISTRY, 2010, 63 (03) : 371 - 378
  • [50] First-principle atomistic thermodynamic study on the early-stage corrosion of NiCr alloy under fluoride salt environment
    Yin, Ya-Ru
    Ren, Cui-Lan
    Han, Han
    Dai, Jian-Xing
    Wang, Hao
    Huai, Ping
    Zhu, Zhi-Yuan
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 20 (45) : 28832 - 28839
12345