UNUSUAL CHEMISORPTION GEOMETRY OF NA ON AL(111)

被引：180

作者：

SCHMALZ, A ^{[1
]}

AMINPIROOZ, S ^{[1
]}

BECKER, L ^{[1
]}

HAASE, J ^{[1
]}

NEUGEBAUER, J ^{[1
]}

SCHEFFLER, M ^{[1
]}

BATCHELOR, DR ^{[1
]}

ADAMS, DL ^{[1
]}

BOGH, E ^{[1
]}

机构：

[1] AARHUS UNIV,INST PHYS,DK-8000 AARHUS,DENMARK

来源：

PHYSICAL REVIEW LETTERS | 1991年 / 67卷 / 16期

关键词：

D O I：

10.1103/PhysRevLett.67.2163

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The adsorption of Na on Al(111) at room temperature has been studied by surface extended x-ray-absorption fine-structure (SEXAFS) experiments as well as by parameter-free calculations. For coverages of THETA-Na = 0.16-0.33, the SEXAFS analysis shows that Na atoms occupy an unusual sixfold-coordinated substitutional site. The Na-Al bond length is determined as 3.31 angstrom, consistent with metallic bonding. Ab initio density-functional-theory calculations for several adsorbate geometries show that the substitutional site has the lowest total energy.

引用

页码：2163 / 2166

页数：4

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