ELECTRONIC-STRUCTURE OF CLEAN AND HYDROXYLATED OXIDE SURFACES

被引：25

作者：

NOGUERA, C ^{[1
]}

GONIAKOWSKI, J ^{[1
]}

BOUETTERUSSO, S ^{[1
]}

机构：

[1] IPCMS, F-67070 STRASBOURG, FRANCE

来源：

SURFACE SCIENCE | 1993年 / 287卷

关键词：

D O I：

10.1016/0039-6028(93)90768-F

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We model and compare the electronic characteristics of clean and hydroxylated simple oxide surfaces (BaO(001), SrO(001), CaO(001), MgO(001), TiO2(110) rutile and SiO2(0001) alpha-quartz): ionic charges, densities of states, gap widths and band widths. Special emphasis is put on the competition between band and electrostatic effects in determining these characteristics and on the relationship between the creation of the dipolar layer on the hydroxylated surfaces with the known acid or basic character of the surfaces.

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页码：188 / 191

页数：4

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