The Effect of Surface Terminations on the Initial Stages of TiO 2 Deposition on Functionalized Silicon
The Effect of Surface Terminations on the Initial Stages of TiO 2 Deposition on Functionalized Silicon
复制标题
表面终止对功能化硅上 TiO 2 沉积初始阶段的影响
DOI：
10.1002/cphc.202200724
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发表时间：
2023
期刊：
影响因子：
2.9
通讯作者：
Teplyakov, Andrew V.
中科院分区：
文献类型：
--
作者：
Parke, Tyler;Silva‐Quinones, Dhamelyz;Wang, George T.;Teplyakov, Andrew V.
随着原子层沉积（ALD）作为一种具有原子精度的结构制造方法的出现，重点放在理解表面反应和成核机制上。二氧化钛与ticl4和水的ALD通常用于研究沉积过程，但表面终止对二氧化钛初始成核的影响缺乏必要的机制见解。本研究研究了ticl4在Cl -， H -和HO -端Si（100）和Si（111）表面的吸附，以阐明不同表面结构和缺陷类型在控制生长和非生长基质表面反应性中的一般作用。用X射线光电子能谱（XPS）和原子力显微镜（AFM）研究了表面位置及其在沉积初期的作用。局部功能化硅表面的密度泛函理论（DFT）计算表明，含氧缺陷是这些表面选择性损失的主要驱动因素。
As atomic layer deposition (ALD) emerges as a method to fabricate architectures with atomic precision, emphasis is placed on understanding surface reactions and nucleation mechanisms. ALD of titanium dioxide with TiCl4and water has been used to investigate deposition processes in general, but the effect of surface termination on the initial TiO2nucleation lacks needed mechanistic insights. This work examines the adsorption of TiCl4on Cl−, H−, and HO− terminated Si(100) and Si(111) surfaces to elucidate the general role of different surface structures and defect types in manipulating surface reactivity of growth and non‐growth substrates. The surface sites and their role in the initial stages of deposition are examined by X‐ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM). Density functional theory (DFT) computations of the local functionalized silicon surfaces suggest oxygen‐containing defects are primary drivers of selectivity loss on these surfaces.