jp4102702_si_001.pdf (4.03 MB)
Nitroxidation of H‑Terminated Si(111) Surfaces with Nitrobenzene and Nitrosobenzene
journal contribution
posted on 2014-01-09, 00:00 authored by Fangyuan Tian, Yuexing Cui, Andrew V. TeplyakovUltrathin
silicon oxynitride films have attracted substantial attention
as gate dielectrics. In this work, we investigate a wet-chemistry
approach to introduce a monolayer silicon oxynitride film by reacting
H-terminated Si(111) surface with nitro- or nitrosobenzene. The bifunctional
aromatic molecules serve as a source of oxygen and nitrogen, while
phenyl ring remains intact after the reaction and can be used for
further modifications or as a resist. Fourier-transform infrared (FTIR)
spectroscopy and X-ray photoelectron spectroscopy (XPS) were used
to confirm surface reaction and to quantify surface coverage. Density
functional theory (DFT) cluster calculations were employed to explore
feasible reaction pathways, predict the vibrational spectra of possible
reaction products, and compare the observed XPS binding energies with
calculated N 1s core level energies. Substantial differences in reactions
of these two molecules on silicon provide the opportunity to tune
the nitroxidation process to achieve the desired levels of oxygen
and nitrogen by chemical means at relatively mild conditions.
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FTIRXPS binding energiesnitroxidation processreaction productscluster calculationsDFTvibrational spectracore level energiesNitrosobenzeneUltrathin silicon oxynitride filmsmonolayer silicon oxynitride filmmoleculeSisurface coveragephenyl ringreaction pathwaysN 1surface reactionSubstantial differencesspectroscopygate dielectrics
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