ELECTRONIC-STRUCTURE OF CLEAN AND HYDROXYLATED OXIDE SURFACES

Authors
NOGUERA C GONIAKOWSKI J BOUETTERUSSO S
Citation
C. Noguera et al., ELECTRONIC-STRUCTURE OF CLEAN AND HYDROXYLATED OXIDE SURFACES, Surface science, 287, 1993, pp. 188-191
Citations number
10
Categorie Soggetti
Chemistry Physical
Journal title
Surface science → ACNP
ISSN journal
00396028
Volume
287
Year of publication
1993
Part
A
Pages
188 - 191
Database
ISI
SICI code
0039-6028(1993)287:<188:EOCAHO>2.0.ZU;2-3
Abstract
We model and compare the electronic characteristics of clean and hydro xylated simple oxide surfaces (BaO(001), SrO(001), CaO(001), MgO(001), TiO2(110) rutile and SiO2(0001) alpha-quartz): ionic charges, densiti es of states, gap widths and band widths. Special emphasis is put on t he competition between band and electrostatic effects in determining t hese characteristics and on the relationship between the creation of t he dipolar layer on the hydroxylated surfaces with the known acid or b asic character of the surfaces.