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
  • [21] Adsorption characteristics of Ag+ on sphalerite surface: a combined experimental and first-principle study
    Heng Yu
    Hongliang Zhang
    Chenyang Zhang
    Wei Sun
    Mingjun Han
    Rong Wang
    Xin Wei
    Songjiang Li
    Environmental Science and Pollution Research, 2024, 31 : 23822 - 23838
  • [22] First Principle Study of the Adsorption Behavior of 1,2,4-Triazole on Defective Copper Surface
    Chang, Pengfei
    Huang, Zisheng
    Hang, Tao
    Li, Ming
    2023 24TH INTERNATIONAL CONFERENCE ON ELECTRONIC PACKAGING TECHNOLOGY, ICEPT, 2023,
  • [23] First-principle study of the AlP/Si interfacial adhesion
    Dai, Hongshang
    Du, Jing
    Wang, Li
    Peng, Chuanxiao
    Liu, Xiangfa
    PHYSICA B-CONDENSED MATTER, 2010, 405 (02) : 573 - 578
  • [24] First-principle study of hydrogen solubility in bcc iron
    Ngiam, Y.
    Chen, Y.
    Huang, M. X.
    COMPUTATIONAL MATERIALS SCIENCE, 2025, 249
  • [25] A first-principle study on the band structure of GePb alloys
    Xia, Shilong
    Yu, Jiulong
    Wang, Jinghang
    Huang, Wei
    Wen, Yuhua
    Li, Cheng
    Li, Jun
    Chen, Songyan
    SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 2024, 39 (12)
  • [26] BMPD-Assisted Enhancement of Corrosion Resistance of Carbon Steel: Experimental and First-Principle DFTB Insights
    Id El Mouden, Omar
    Al-Moubaraki, Aisha H.
    Chafiq, Maryam
    Bakhouch, Mohamed
    Batah, Ahmed
    Bammou, Lahcen
    Belkhaouda, M'hammed
    Chaouiki, Abdelkarim
    Ko, Young Gun
    METALS, 2024, 14 (01)
  • [27] A first-principle study on the interfacial properties of Cu/CeO2(110)
    Lu Zhan-Sheng
    Li Sha-Sha
    Chen Chen
    Yang Zong-Xian
    ACTA PHYSICA SINICA, 2013, 62 (11)
  • [28] INFLUENCE OF GELATINE ON CORROSION BEHAVIOR OF COPPER IN ACIDIC MEDIA
    Todorovic, Dragisa A.
    Milenkovic, Dragan D.
    Milosavljevic, Milutin M.
    Markovic, Dragan A.
    HEMIJSKA INDUSTRIJA, 2012, 66 (02) : 193 - 200
  • [29] A study of the most condensed configuration of oxocarbon molecule adsorption on graphene surface: A first-principle investigation
    Wang, Zicheng
    Li, Jiajie
    Zhang, Yaping
    Xu, Huaizhe
    APPLIED SURFACE SCIENCE, 2018, 455 : 216 - 220
  • [30] Influence of humid air on the formation of pores and cracks in the scale on high-strength steel: Experimental and first-principle study
    Song, Wentao
    Ran, Changrong
    Li, Qinglong
    Yu, Hengxiang
    Guo, Taixiong
    Cao, Guangming
    JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 2025, 36 : 974 - 983
12345