对于选择性原子层沉积Pt,Cu和Au金属的被动化的第一原则研究
Giorgia Barile1, Federico Ravera1, Yuri Ardesi1
1Dept. of Electronics and Telecommunications, Politecnico di Torino, Corso Duca degli Abruzzi 24, Torino, Italy. federico.ravera@polito.it.
Nanoscale
|June 6, 2025
概括
被动阻碍了,铜和黄金在上的原子层沉积 (ALD). 这种选择性掩盖效应使先进设备的精确,模式导向的纳米制造成为可能.
科学领域:
- 材料科学 材料科学 材料科学
- 纳米技术 纳米技术
- 表面化学 表面化学
背景情况:
- 原子层沉积 (ALD) 对于精确的纳米制造至关重要.
- 越来越复杂的设备要求具有原子尺度精度和空间选择性的技术.
- 对复杂的纳米结构来说,控制图案表面的沉积是必不可少的.
研究的目的:
- 通过使用第一原则模拟,研究被动化对 (Pt),铜 (Cu) 和金 (Au) 沉积的影响.
- 评估在被动化和裸体基板上前体吸附的能量障碍.
- 通过被动化评估选择性ALD的热力学可行性.
主要方法:
- 基于密度函数理论的第一原则模拟.
- 纳奇弹性带方法来计算吸附的能量障碍.
- 振动频率计算以确定反应热力学.
主要成果:
- 被动化显著增加了上Pt,Cu和Au的吸附能量障碍.
- 化有效地阻碍了覆盖的表面上的金属前体沉积.
- 黄金表现出最大的屏障差异,而白金表现出受控的反应途径.
结论:
- 被动化作为一种选择性的掩盖层,将ALD引导到没有的区域.
- 这种方法为在纳米制造中实现选择性原子层沉积提供了潜力.
- 这些发现为制造具有复杂图案的先进纳米尺度设备铺平了道路.
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