Photoelectron spectra of Nbn- clusters:: Correlation between electronic structure and hydrogen chemisorption

被引：68

作者：

Kietzmann, H ^{[1
]}

Morenzin, J ^{[1
]}

Bechthold, PS ^{[1
]}

Ganteför, G ^{[1
]}

Eberhardt, W ^{[1
]}

机构：

[1] Forschungszentrum Julich, Inst Festkorperphys, D-52425 Julich, Germany

来源：

JOURNAL OF CHEMICAL PHYSICS | 1998年 / 109卷 / 06期

关键词：

D O I：

10.1063/1.476853

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：

Photoelectron spectra of mass-separated Nb-n(-) clusters reveal an even/odd alternation for n = 6 - 17, indicating a closed electronic shell of the neutral even-numbered clusters. The HOMO-LUMO gap of Nb-8, Nb-10, and Nb-16 is found to be larger than that of the other even-numbered clusters, which correlates with the low H-2 reactivities of these species. The spectrum of Nb-15(-) is different from all other clusters in this size range, which might be an indication for a geometric bcc shell closing. The influence of the electronic structure of the clusters on the reactivity is discussed. (C) 1998 American Institute of Physics.

引用

页码：2275 / 2278

页数：4

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