Water chemisorption and reconstruction of the MgO surface.

The observed reactivity of MgO with water is in apparent conflict with theoretical calculations which show that molecular dissociation does not occur on a perfect (001) surface. We have performed ab-initio total energy calculations which show that a chemisorption reaction involving a reconstruction...

Full description

Bibliographic Details
Main Authors: Refson, K, Wogelius, R, Fraser, D, Payne, M, Lee, M, Milman, V
Format: Journal article
Language:English
Published: 1995