Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • 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
Water adsorption on ZnO(10(1)over-bar0): The role of intrinsic defects
Show others and affiliations
2012 (English)In: Europhysics letters, ISSN 0295-5075, E-ISSN 1286-4854, Vol. 97, no 1, 17014- p.Article in journal (Refereed) Published
Abstract [en]

Density functional theory (DFT) calculations have been performed to investigate the interaction of water molecules with bare and defective ZnO(10 (1) over bar0) surfaces. We show that at high coverages water molecules avoid adsorption close to defect sites, whereas at low coverages adsorption on defective surfaces show a similar adsorption pattern to those adsorbed on the defect-free surface, adsorbing in a molecular fashion. Finally we show that the electronic structure of the defective non-polar surface is not much affected by the adsorption of water, with exception of the O-defect surfaces.

Place, publisher, year, edition, pages
2012. Vol. 97, no 1, 17014- p.
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-91271DOI: 10.1209/0295-5075/97/17014ISI: 000300250800045Scopus ID: 2-s2.0-84855519814OAI: oai:DiVA.org:kth-91271DiVA: diva2:509020
Note
QC 20120312Available from: 2012-03-12 Created: 2012-03-12 Last updated: 2017-12-07Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopus

Search in DiVA

By author/editor
Ahuja, Rajeev
By organisation
Applied Material Physics
In the same journal
Europhysics letters
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 33 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • 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