Molecular simulation study of 1,5-diphenylcarbazide self-assembled monolayers on a copper surface
文献类型：期刊论文
| 作者 | G. Z. Liu ; S. H. Chen ; H. F. Ma ; X. Y. Liu |
| 刊名 | Journal of the Serbian Chemical Society
 |
| 出版日期 | 2007 |
| 卷号 | 72期号:5页码:475-484 |
| 关键词 | self-assembled monolayers (SAMs) 1 5-diphenylcarbazide copper molecular mechanics corrosion protection dynamics simulation hydrochloric-acid au(111) surface schiff-base inhibition steel minimization films |
| ISSN号 | 0352-5139 |
| 中文摘要 | In this study, the adsorption process of 1,5-diphenylcarbazide (DPC) self-assembled monolayers on a copper surface was investigated by using molecular mechanics. The results indicated that the interaction of the alpha-electrons in the -NH-NH- group and the pi-electrons in the phenyl ring could lead to strong adsorption of the highly symmetric DPC molecules on a copper surface. The synergy efect of the phenyl ring and the -NH-NH- group made the whole DPC molecule lay in parallel orientation on a copper surface when the coverage was low. However, at high coverage, the phenyl ring was sligtly tilted because of the repulsion of the DPC molecules, while the groups remained parallel to the copper surface. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/33701]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | G. Z. Liu,S. H. Chen,H. F. Ma,et al. Molecular simulation study of 1,5-diphenylcarbazide self-assembled monolayers on a copper surface[J]. Journal of the Serbian Chemical Society,2007,72(5):475-484. |
| APA | G. Z. Liu,S. H. Chen,H. F. Ma,&X. Y. Liu.(2007).Molecular simulation study of 1,5-diphenylcarbazide self-assembled monolayers on a copper surface.Journal of the Serbian Chemical Society,72(5),475-484. |
| MLA | G. Z. Liu,et al."Molecular simulation study of 1,5-diphenylcarbazide self-assembled monolayers on a copper surface".Journal of the Serbian Chemical Society 72.5(2007):475-484. |
入库方式： OAI收割
来源：金属研究所
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