2013
DOI: 10.4028/www.scientific.net/amr.785-786.832
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Initial Surface Reactions Mechanisms of Atomic Layer Deposition TiO<sub>2</sub><sub> </sub>Using Ti(OCH<sub>3</sub>)<sub>4</sub> and H<sub>2</sub>O as Precursors

Abstract: The initial surface reaction mechanisms of atomic layer depositionTiO2using Ti (OCH3)4and H2O as the precursors are investigated by density functional theory. The ALD process is divided into two half-reactions, i.e., Ti (OCH3)4and H2O half-reactions. The adsorption of Ti (OCH3)4on OH/Si (100)2×1 surface is exothermic. However, the overall reaction of Ti (OCH3)4is endothermic. In addition, H2O half-reactions are endothermic and thermodynamically unfavorable.

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