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Interaction of water molecule with silicon surfaces

Katırcıoğlu, Şenay
In this work, a number of state density calculations are carried out to understand the binding states of adsorbed H2O on Si(111) and Si(100) surfaces and the spectra resulting therefrom. It is found that the angle between the molecular plane and the surface normal has a drastic effect on the adsorbate states. In the light of the IR, EELS and UPS experimental results, the LDOS calculations lead to the dissociative type adsorption of H2O on Si(111) and Si(100) surfaces excluding the molecular type.