Adsorption of H 2 O (Molecular and Dissociative) on Si(100) and Si(111) Surfaces Considered by an Empirical Pair Potential Method | Zendy

Engler C. | Zendy

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Adsorption of H 2 O (Molecular and Dissociative) on Si(100) and Si(111) Surfaces Considered by an Empirical Pair Potential Method

Author(s) -

Engler C.

Publication year - 1990

Publication title -

physica status solidi (b)

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.51

H-Index - 109

eISSN - 1521-3951

pISSN - 0370-1972

DOI - 10.1002/pssb.2221590219

Subject(s) - adsorption , dissociation (chemistry) , dissociative , molecule , chemistry , potential energy , silicon , computational chemistry , materials science , chemical physics , atomic physics , physics , organic chemistry , medicine , pharmacology

The adsorption of H 2 O on Si(100) and Si(111) surfaces is examined by an empirical method, which connects pair potential considerations with the BEBO‐concept. For both surfaces, only small energetic differences between molecular SiH 2 O and dissociative SiH and SiOH species are obtained, which lie within the margin of error of the method. For the dissociation process of adsorbed H 2 O‐molecules on Si(100)−(2 × 1), the course of the total energy along a possible reaction path is discussed.

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