THE INTERACTION OF HYDROGEN WITH THE (110) SURFACE OF NIAL

被引：50

作者：

HANBICKI, AT

BADDORF, AP

PLUMMER, EW

HAMMER, B

SCHEFFLER, M

机构：

[1] FRITZ HABER INST, D-14195 BERLIN, GERMANY

[2] UNIV PENN, DEPT PHYS, PHILADELPHIA, PA 19104 USA

[3] UNIV TENNESSEE, DEPT PHYS & ASTRON, KNOXVILLE, TN 37996 USA

[4] TECH UNIV DENMARK, DEPT PHYS, CAMP, DK-2800 LYNGBY, DENMARK

来源：

SURFACE SCIENCE | 1995年 / 331卷

关键词：

ALLOYS; ATOM-SOLID INTERACTIONS; SCATTERING; DIFFRACTION; ATOM-SOLID REACTIONS; HYDROGEN; NIAL; SURFACE RELAXATION AND RECONSTRUCTION;

D O I：

10.1016/0039-6028(95)00376-2

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：

The adsorption of hydrogen onto the (110) surface of the ordered alloy NiAl is being investigated experimentally and theoretically. At this stage, the experimental and theoretical results are complementary. Experiment reveals that the dissociative adsorption of atomic hydrogen is activated and indicates that the presence of H on the surface causes dramatic changes in the atomic positions of the Ni and Al atoms. Density functional theory for a (1 x 1) H overlayer identifies the H bonding site as the Ni-Ni bridge and predicts the surface rippling on clean NiAl(110) is removed by hydrogen.

引用

页码：811 / 817

页数：7

共 31 条

[1] PSEUDOPOTENTIALS THAT WORK - FROM H TO PU [J].