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

Zhang Zhengwei; Wang Qiang; Wang Xu; Gao Lin

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

机译：晶面对铜表面腐蚀行为的影响：第一性原理和实验研究

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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.

机译：当在含有NaCl和Na-MBT（2-巯基苯并噻唑的钠盐）的溶液中MBT-：Cl-的比例为50-10：1时，钝化铜样品1（S1）；当定量为10-5：1时，它被腐蚀了。铜样品2（S2）在MBT-：Cl- = 50-5：1的所有溶液中均没有抗腐蚀能力。第一性原理计算显示，与S2的主面（200）和（111）的面相比，S1的主面（220）面的Cu原子具有更多的不饱和和高能电子。（220）面的最高化学活化作用使S1表面表现出更好的抗腐蚀能力。（C）2016 Elsevier B.V.保留所有权利。

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《Applied Surface Science》 |2017年第1期|746-753|共8页
作者
Zhang Zhengwei; Wang Qiang; Wang Xu; Gao Lin;
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作者单位

Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Key Lab Plant Resources & Chem Arid Zones, Urumqi 830011, Peoples R China;

Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Key Lab Plant Resources & Chem Arid Zones, Urumqi 830011, Peoples R China;

Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Key Lab Plant Resources & Chem Arid Zones, Urumqi 830011, Peoples R China;

Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Key Lab Plant Resources & Chem Arid Zones, Urumqi 830011, Peoples R China;

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正文语种 eng
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关键词
Copper; Crystal face; Corrosion; First-principle;

机译：铜;晶面;腐蚀;第一性原理;

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

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