AI Article Synopsis
- The study investigates the hydrolysis and condensation processes of CHSnCl to form molecular clusters and gel films, highlighting the importance of the precursor's composition for achieving high-quality films.
- Density functional theory calculations reveal that the hydrolysis of a specific dimer (CHSn)(OH)Cl(HO) is energetically challenging, which explains the observed stability of this dimer in various environments.
- Post-deposition baking at 80 °C promotes the transition to a dodecamer structure [(CHSn)O(OH)], leading to smooth film surfaces due to on-wafer condensation.
Article Abstract
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.
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| http://dx.doi.org/10.1021/acs.inorgchem.9b03589 | DOI Listing |
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