Deutsch
 
Hilfe Datenschutzhinweis Impressum
  DetailsucheBrowse

Datensatz

 
 
DownloadE-Mail
  Chemistry at corners and edges: Generation and adsorption of H atoms on the surface of MgO nanocubes

Sterrer, M., Berger, T., Diwald, O., Knözinger, E., Sushko, P. V., & Shluger, A. L. (2005). Chemistry at corners and edges: Generation and adsorption of H atoms on the surface of MgO nanocubes. Journal of Chemical Physics, 123(06), 064714–1-064714–7. doi:10.1063/1.1997108.

Item is

Externe Referenzen

einblenden:

Urheber

einblenden:
ausblenden:
 Urheber:
Sterrer, Martin1, Autor           
Berger, Thomas, Autor
Diwald, Oliver, Autor
Knözinger, Erich, Autor
Sushko, Peter V., Autor
Shluger, Alexander L., Autor
Affiliations:
1Chemical Physics, Fritz Haber Institute, Max Planck Society, ou_24022              

Inhalt

einblenden:
ausblenden:
Schlagwörter: magnesium compounds; surface chemistry; adsorption; ab initio calculations; photodissociation; ultraviolet radiation effects; electron traps; ab-initio; magnesium-oxide; defect centers; color-centers; earth oxides; density; anions; nanoparticles; vacancies
 Zusammenfassung: We used UV light to generate site-selective O- hole centers at three-coordinated corner oxygen sites on MgO nanocubes. These highly reactive O- radicals split H-2 homolytically and, in the course of this reaction, become hydroxylated and produce hydrogen atoms. The hydrogen atoms adsorb predominantly at cube edges and dissociate into surface-trapped electrons and protons. We propose that the experimentally observed (H+)(e(-)) centers are formed adjacent to the hydroxyl groups generated in the homolytic splitting process and can be defined as (H+)(3C)center dot(e(-))(H+)(NC) centers where 3C and NC refer to the coordination numbers of the corresponding hydroxylated oxygen sites. Our ab initio embedded cluster calculations reveal that the electronic properties of (H+)(3C)center dot(e(-))(H+)(4C) centers situated along MgO nanocube edges are consistent with both the electron-paramagnetic-resonance signal parameters and the reported optical-absorption properties. The transformation of corner O- centers into the (H+)(3C)center dot(e(-))(H+)(NC)-type centers prevents their recombination with electronic surface centers and, hence, significantly alters the electronic structure of MgO nanocubes by introducing shallow electron traps.

Details

einblenden:
ausblenden:
Sprache(n): eng - English
 Datum: 2005-08-05
 Publikationsstatus: Erschienen
 Seiten: -
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Art des Abschluß: -

Veranstaltung

einblenden:

Entscheidung

einblenden:

Projektinformation

einblenden:

Quelle 1

einblenden:
ausblenden:
Titel: Journal of Chemical Physics
  Alternativer Titel : J. Chem. Phys.
Genre der Quelle: Zeitschrift
 Urheber:
Affiliations:
Ort, Verlag, Ausgabe: -
Seiten: - Band / Heft: 123 (06) Artikelnummer: - Start- / Endseite: 064714–1 - 064714–7 Identifikator: -