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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.