Wang Xu*,Li Zhen,Feng Longlong,et al.Simulation study on a novel small molecular leveler for copper electroplating[J].Plating & Finishing,2023,(1):80-84.[doi:10.3969/j.issn.1001-3849.2023.01.012]
一种新型小分子电镀铜整平剂的模拟研究
- Title:
- Simulation study on a novel small molecular leveler for copper electroplating
- 关键词:
- 量子化学计算; 分子动态模拟; 2 ; 2′ - 二硫代二吡啶; 整平剂
- Keywords:
- quantum chemistry calculations ; molecular dynamics simulation ; 2 ; 2’-dithiodipyridine ; leveler
- 分类号:
- TQ153.14
- 文献标志码:
- A
- 摘要:
- 以 2 ， 2′ - 二硫代二吡啶（ 2-PDS ）和铜分别作为研究对象和研究基体，并以量子化学计算、分子动态模拟为理论模拟方法，通过模拟 2-PDS 与铜表面的相互作用和相互反应，得出 2-PDS 分子可以通过自身丰富的活性位点和较强的成键能力紧密地吸附在铜表面上以阻碍铜离子的沉积，这也表明了 2-PDS 分子是一种潜在的整平剂。
- Abstract:
- ： Taking 2 ， 2’-dithiodipyridine （ 2-PDS ） and copper as the research object and research matrix respectively ， and taking quantum chemical calculations and molecular dynamics simulation as theoretical simulation methods ， the interaction and mutual reaction between 2-PDS and the copper surface are simulated. It is concluded that the 2-PDS molecule can be closely adsorbed on the copper surface through its abundant active sites and strong bonding ability to hinder the deposition of copper ions. This also shows that the 2-PDS molecule is a potential leveler.
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备注/Memo
收稿日期： 2022-06-20 修回日期： 2022-07-07 * 通信作者： 王旭（ 1994 ―），女，硕士，工程师， email ： 847618095@qq.com?/html>