A new strategy for achieving N modified graphene and as protective coating for Cu: First-principles investigations
文献类型：期刊论文
| 作者 | Zhang, Renhui; Zhu, Mengyue; Pu, Jibin; He, Zhongyi; Xiong, Liping |
| 刊名 | SURFACES AND INTERFACES
 |
| 出版日期 | 2021 |
| 卷号 | 24 |
| 关键词 | CORROSION INHIBITION HYDROGEN EVOLUTION WATER DISSOCIATION BENZOTRIAZOLE SURFACE COPPER STEEL FE |
| 英文摘要 | In this work, using first-principles calculations, the adsorption behavior of benzotriazole anion on defective graphene (DG) surface was investigated, the adsorption of benzotriazole anion on DG surface achieved the modification of N onto graphene. The calculated results showed that the benzotriazole anion could absorbed on DG, rather on pristine graphene (PG); the DG superior to PG as protective coating could stably anchor on Cu surface; Cu was easily oxidized by oxygen, the absorption of BTA on Cu and DG@Cu surface effective enhanced the barrier capability against oxygen. This work could give a positive guidance for experimental investigations. |
| 源URL | [http://ir.nimte.ac.cn/handle/174433/21866]  |
| 专题 | 中国科学院宁波材料技术与工程研究所 2021专题_期刊论文 |
| 作者单位 | 1.He, ZY 2.Xiong, LP (corresponding author), East China JiaoTong Univ, Sch Mat Sci & Engn, Nanchang 330013, Jiangxi, Peoples R China. |
| 推荐引用方式 GB/T 7714 | Zhang, Renhui,Zhu, Mengyue,Pu, Jibin,et al. A new strategy for achieving N modified graphene and as protective coating for Cu: First-principles investigations[J]. SURFACES AND INTERFACES,2021,24. |
| APA | Zhang, Renhui,Zhu, Mengyue,Pu, Jibin,He, Zhongyi,&Xiong, Liping.(2021).A new strategy for achieving N modified graphene and as protective coating for Cu: First-principles investigations.SURFACES AND INTERFACES,24. |
| MLA | Zhang, Renhui,et al."A new strategy for achieving N modified graphene and as protective coating for Cu: First-principles investigations".SURFACES AND INTERFACES 24(2021). |
入库方式： OAI收割
来源：宁波材料技术与工程研究所
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