Dissociation of water molecules on Si surfaces

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Abstract
Molecularly adsorbed water is weakened due to the chemisorption bond between oxygen and surface silicon and has a Fermi level lying in the conduction band. This unstable binding structure dissociates to yield a lower-energy configuration. Binding structures that may result from the dissociation in the termperature range from 300 to 750 K are discussed. With state-density calculations it is demonstrated that a dissociative binding structure, in which OH and H are chemisorbed to closely lying surface silicon atoms, accounts for the room-temperature ultra-violet photoemission spectrum.