liu.seSearch for publications in DiVA
Change search
ReferencesLink to record
Permanent link

Direct link
Ab initio molecular dynamics study of hydrogen removal by ion-surface interactions
Rhein Westfal TH Aachen.
University of Uppsala.
Rhein Westfal TH Aachen.
2005 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 17, no 15, L137-L142 p.Article in journal (Refereed) Published
Abstract [en]

The energy dependence of surface reactions has been investigated through ab initio MD simulations for collisions between Al1+ and a gibbsite surface. No change in surface composition was observed for 0 eV initial kinetic energy of Al1+. An increase in energy to 3.5 eV resulted in extended surface migration of hydrogen, subsequent H-2 formation and desorption from the surface. These results may be understood based on thermodynamics and an increase in entropy upon H-2 formation. They are of fundamental importance for an increased understanding of thin film growth through the correlation between ion energy and film composition. They may also indicate a pathway to affect impurity incorporation during film growth.

Place, publisher, year, edition, pages
Iop Publishing Ltd , 2005. Vol. 17, no 15, L137-L142 p.
National Category
Medical and Health Sciences
URN: urn:nbn:se:liu:diva-59677DOI: 10.1088/0953-8984/17/15/l01ISI: 000228767400001OAI: diva2:353087
Available from: 2010-09-23 Created: 2010-09-23 Last updated: 2010-09-23

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Rosen, Johanna
In the same journal
Journal of Physics: Condensed Matter
Medical and Health Sciences

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 135 hits
ReferencesLink to record
Permanent link

Direct link