SGER: Molecular Simulations of the Interface and Double Layer for Model Copper-Electrodeposition Baths: Effects of Organic Additives

SGER：模型铜电镀浴的界面和双层的分子模拟：有机添加剂的影响

• 批准号: 0215786
• 负责人: John Harb
• 金额: $ 7万
• 依托单位: Brigham Young University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2002
• 资助国家: 美国
• 起止时间: 2002-07-01 至 2004-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0215786&HistoricalAwards=false
• 关键词: SGER; Molecular; Simulations; Interface; Double

The objective of this proposal is to develop molecular dynamics simulations to study the interface and electrical double layer for model systems characteristic of copper electrodepostion baths containing additives. The intent is to investigate the nature of the electrical double layer and the copper surface using molecular modeling under the hypothesis that this is the most important region for modeling electrodeposition. The approach will employ recent computational advances and will explore novel methods in computational chemistry and molecular dynamics. Molecular dynamics simulations will be used to study the interface and electrical double layer for model systems characteristic of copper electrodepostion baths containing additives. Experimental measurements show important differences in double-layer capacitance, electrode polarization, and copper deposition with small changes in the molecular nature of the additives. Molecular dynamics simulations may be applicable for directly relating observed behavior to molecular structure and intermolecular interactions. The educational portion of the work will involve the mentoring and supervision of graduate students. Electrodeposition is currently being used in the microprocessor industry for submicron interconnects, and this work may have an impact on these processes.

该方案的目的是发展分子动力学模拟来研究含添加剂的铜电沉积液模型体系的界面和电双电层。其目的是在假设这是模拟电沉积最重要的区域的情况下，使用分子模拟来研究双电层和铜表面的性质。该方法将利用最新的计算进展，并将探索计算化学和分子动力学的新方法。用分子动力学模拟方法研究了含添加剂的铜电镀液模型体系的界面和电双电层。实验测量表明，在双电层电容、电极极化和铜沉积方面存在重要差异，但添加剂的分子性质变化很小。分子动力学模拟可能适用于将观察到的行为与分子结构和分子间相互作用直接联系起来。这项工作的教育部分将涉及对研究生的指导和监督。电沉积目前用于微处理器行业的亚微米互连，这项工作可能会对这些工艺产生影响。