Abstract

Fourier transform infrared (FTIR) spectroscopy, x-ray photoelectron spectroscopy (XPS), and ab initio density functional theory-based molecular dynamics simulations demonstrate fundamental mechanisms for CH3 abstraction from organosilicate films by thermal O(P3). Ex situ FTIR analysis demonstrates that film exposure to thermal O(P3) yields chemical changes similar to O2 plasma exposure. In situ XPS indicates that exposure to thermal O(P3) yields O/OH incorporation in the organosilicate film concurrent with carbon loss from the surface region. These results are consistent with simulations indicating specific low kinetic barrier (<0.1 eV) reactions resulting in concurrent Si–C bond scission and Si–O bond formation.

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