Hydrogen abstraction from a diamond(111) surface in a uniform electric field

Authors
Ricca, A Bauschlicher, CW Kang, JK Musgrave, CB
Citation
A. Ricca et al., Hydrogen abstraction from a diamond(111) surface in a uniform electric field, SURF SCI, 429(1-3), 1999, pp. 199-205
Citations number
11
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
SURFACE SCIENCE
ISSN journal
00396028 → ACNP
Volume
429
Issue
1-3
Year of publication
1999
Pages
199 - 205
Database
ISI
SICI code
0039-6028(19990610)429:1-3<199:HAFADS>2.0.ZU;2-A
Abstract
Bond breaking in a strong electric field is shown to arise from a crossing of the ionic and covalent asymptotes. The specific example of hydrogen abst raction from a diamond(111) surface is studied using a cluster model. The a ddition of nearby atoms in both the parallel and perpendicular direction to the electric field are found to have an effect. It is also shown that the barrier is not solely related to the position of the ionic and covalent asy mptotes. (C) 1999 Elsevier Science B.V. All rights reserved.