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Updated: May 31, 2026
10:22
In Situ SIMS and IR Spectroscopy of Well-defined Surfaces Prepared by Soft Landing of Mass-selected Ions
Published on: June 16, 2014
k-Restoring processes at carbon depleted ultralow-k surfaces
Oliver Böhm1, Roman Leitsmann, Philipp Plänitz
1Material Calculation, GWT-TUD GmbH, Annabergerstrasse 240, 09125 Chemnitz, Germany. boehm@matcalc.de
The Journal of Physical Chemistry. A
|June 21, 2011
Summary
This study explores silazane silylation of OH groups. Bis(dimethylamino)dimethylsilane exhibits the most exothermic reaction and lowest activation energy, making it ideal for semiconductor film repair.
Area of Science:
- Materials Science
- Computational Chemistry
- Chemical Engineering
Background:
- Silylation is crucial for modifying material properties.
- Understanding reaction mechanisms is key for process optimization.
- Porous films in semiconductors require effective repair strategies.
Purpose of the Study:
- To investigate the silylation of hydroxyl (OH) groups using various silazanes.
- To elucidate the reaction mechanisms and energetics of silylation reactions.
- To identify optimal silazanes for chemical repair in semiconductor processing.
Main Methods:
- Density Functional Theory (DFT) calculations.
- Nudged Elastic Band (NEB) method for minimum energy path determination.
- Analysis of activation and reaction energies.
Main Results:
- All investigated silazanes undergo exothermic silylation reactions.
- Bis(dimethylamino)dimethylsilane demonstrates the highest exothermicity.
- This silazane also exhibits the lowest activation energies among the studied compounds.
Conclusions:
- Silazane silylation is an exothermic process.
- Bis(dimethylamino)dimethylsilane is a promising candidate for semiconductor porous film repair.
- The findings support its application in k-restoring processes.
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