Kenane Nizan, Grove Markas A, Perkins Cory K, Reynolds Tristan R, Cheong Paul Ha-Yeon, Keszler Douglas A
Department of Chemistry, Oregon State University, 153 Gilbert Hall, Corvallis, Oregon 97331-4003, United States.
Inorg Chem. 2020 Mar 16;59(6):3934-3941. doi: 10.1021/acs.inorgchem.9b03589. Epub 2020 Feb 27.
Herein, we report hydrolysis and condensation chemistries of CHSnCl to molecular clusters and gel films. Precursor speciation plays a key role in film formation and quality toward realization of atomically smooth surfaces. Density functional theory investigations of CHSnCl and its reactions show that hydrolysis of the dimer (CHSn)(OH)Cl(HO) has a high energetic penalty in the gas phase and when using a polarizable continuum solvation model based on density. These computations support our observed stability of the dimeric cluster in air, in various solvents, and through initial film deposition. It hydrolyzes and condenses to the [(CHSn)O(OH)] dodecamer on-chip after a post film-deposition bake at 80 °C. Consequently, film surface smoothness is uniquely retained through on-wafer condensation.
在此,我们报道了CHSnCl水解和缩合为分子簇和凝胶膜的化学过程。前驱体形态在薄膜形成以及实现原子级光滑表面的质量方面起着关键作用。对CHSnCl及其反应的密度泛函理论研究表明,二聚体(CHSn)(OH)Cl(HO)的水解在气相中以及使用基于密度的可极化连续介质溶剂化模型时具有很高的能量代价。这些计算结果支持了我们观察到的二聚体簇在空气中、各种溶剂中以及通过初始薄膜沉积时的稳定性。在80°C的薄膜沉积后烘烤处理后,它在芯片上水解并缩合为[(CHSn)O(OH)]十二聚体。因此,通过晶圆上的缩合过程,薄膜表面的光滑度得以独特地保持。