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

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Ab initio studies of adsorption and migration surface processes on an alpha-Al2O3 surface
Rhein Westfal TH Aachen.
Rhein Westfal TH Aachen.
Uppsala University.
2005 (English)In: Solid State Communications, ISSN 0038-1098, E-ISSN 1879-2766, Vol. 135, no 01-Feb, 90-94 p.Article in journal (Refereed) Published
Abstract [en]

Surface processes on alpha-Al2O3 (0001) have been investigated theoretically using density functional theory. Ion-surface interactions prior to collision were investigated by means of ab initio molecular dynamics simulations, showing an adsorbate trajectory towards a preferred adsorption site. Furthermore, the adsorption process at different surface sites was investigated, together with calculations of barriers for migration between these sites. Although the equilibrium (bulk) adsorption site was energetically favourable, the presence and magnitude of the migration barriers indicate that activation energy is necessary to form the equilibrium surface structure. These results are of importance for a fundamental understanding of ion-surface interactions.

Place, publisher, year, edition, pages
Elsevier Science B.V., Amsterdam. , 2005. Vol. 135, no 01-Feb, 90-94 p.
Keyword [en]
alumina; adsorption; migration
National Category
Medical and Health Sciences
Identifiers
URN: urn:nbn:se:liu:diva-59678DOI: 10.1016/j.ssc.2005.03.048ISI: 000229996300020OAI: oai:DiVA.org:liu-59678DiVA: diva2:353088
Available from: 2010-09-23 Created: 2010-09-23 Last updated: 2017-12-12

Open Access in DiVA

No full text

Other links

Publisher's full text

Authority records BETA

Rosen, Johanna

Search in DiVA

By author/editor
Rosen, Johanna
In the same journal
Solid State Communications
Medical and Health Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 294 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf