Electron Traps on Oxide Surfaces: (H+)(e−) Pairs Stabilized on the Surface of 17O Enriched CaO
- 3 March 2006
- journal article
- research article
- Published by Wiley in Chemphyschem
- Vol. 7 (3) , 728-734
Abstract
(H+)(e−) pairs generated at the surface of polycrystalline CaO are analyzed for the first time in terms of the interaction of the unpaired electron spin with the nuclear spin of the 17O anions of the surface. CaO crystals enriched in the 17O isotope are prepared and the corresponding hyperfine coupling constants are measured in electron paramagentic resonance (EPR) spectra. The results are analyzed on the basis of cluster model density functional theory calculations. The computed hyperfine coupling constants for (H+)(e−) pairs formed on the edge, corner, and reverse corner sites of the CaO surface allow a tentative assignment of two observed spectral features to specific morphological surface sites.Keywords
This publication has 29 references indexed in Scilit:
- Hydride Ion as Photoelectron Donor in Microporous CrystalJournal of the American Chemical Society, 2005
- Geometric Characterization of a Singly Charged Oxygen Vacancy on a Single-Crystalline MgO(001) Film by Electron Paramagnetic Resonance SpectroscopyPhysical Review Letters, 2005
- Single Electron Traps at the Surface of Polycrystalline MgO: Assignment of the Main Trapping SitesThe Journal of Physical Chemistry B, 2005
- Spectroscopic Properties of Trapped Electrons on the Surface of MgO NanoparticlesChemphyschem, 2004
- Local Environment of Electrons Trapped at the MgO Surface: Spin Density on the Oxygen Ions from 17O Hyperfine Coupling ConstantsThe Journal of Physical Chemistry B, 2004
- Oxygen Vacancy: The Invisible Agent on Oxide SurfacesChemphyschem, 2003
- Paramagnetic Defect Centers at the MgO Surface. An Alternative Model to Oxygen VacanciesJournal of the American Chemical Society, 2002
- Light-induced conversion of an insulating refractory oxide into a persistent electronic conductorNature, 2002
- Heterogeneity of surface colour centres on alkaline earth metal oxides as revealed through EPR/ENDOR spectroscopyMagnetic Resonance in Chemistry, 2002
- Surface Color Centers on Calcium Oxide: An Electron Paramagnetic Resonance InvestigationLangmuir, 1997