全部 标题 作者
关键词 摘要

OALib Journal期刊
ISSN: 2333-9721
费用:99美元

查看量下载量

相关文章

更多...
Physics  1995 

Water Chemisorption and Reconstruction of the MgO Surface

DOI: 10.1103/PhysRevB.52.10823

Full-Text   Cite this paper   Add to My Lib

Abstract:

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 to form a (111) hydroxyl surface is strongly preferred with Delta E = -90.2kJ/mol. We conclude that protonation stabilizes the otherwise unstable (111) surface and that this, not the bare (001), is the most stable surface of MgO under ambient conditions.

Full-Text

Contact Us

service@oalib.com

QQ:3279437679

WhatsApp +8615387084133