FIRST PRINCIPLES CALCULATION OF PREPAIRING MECHANISM FOR H-2 DESORPTION FROM SI(100)-2X1

Authors
PAL S DOREN D
Citation
S. Pal et D. Doren, FIRST PRINCIPLES CALCULATION OF PREPAIRING MECHANISM FOR H-2 DESORPTION FROM SI(100)-2X1, The Journal of chemical physics, 103(3), 1995, pp. 1232-1234
Citations number
49
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
103
Issue
3
Year of publication
1995
Pages
1232 - 1234
Database
ISI
SICI code
0021-9606(1995)103:3<1232:FPCOPM>2.0.ZU;2-X
Abstract
Density functional calculations show that H-2 desorption from Si(100)- 2X1 via a ''prepaired'' state is consistent with energetic and dynamic measurements. The corresponding adsorption process is discussed and c omparisons are made to earlier theoretical studies. (C) 1995 American Institute of Physics.