AN AUTOMATED TENSOR LEED ANALYSIS OF THE NI(111)-C(4X2)-2CO STRUCTURE

被引：70

作者：

MAPLEDORAM, LD

BESSENT, MP

WANDER, A

KING, DA

机构：

[1] Department of Chemistry, University of Cambridge, Cambridge, CB2 1EW, Lensfield Road

来源：

CHEMICAL PHYSICS LETTERS | 1994年 / 228卷 / 06期

关键词：

D O I：

10.1016/0009-2614(94)00985-6

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 Ni{111}-c(4X2)-2CO system has been studied using fully dynamic low-energy electron diffraction. CO is found to occupy both hcp and fcc threefold hollow sites. This is in contrast to earlier conclusions from vibrational spectroscopy where assignment was made to bridge sites. This study also represents an improvement over earlier SEXAFS and photoelectron diffraction studies in that the full surface geometry is obtained revealing significant bucklings of the nickel first and second surface layers and points to possible bends and tilts of the CO molecules.

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页码：527 / 532

页数：6

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