Comparison of adsorbed orthocarborane and metacarborane on metal surfaces

被引：30

作者：

Caruso, AN

Bernard, L

Xu, B

Dowben, PA

机构：

[1] Univ Nebraska, Behlen Lab Phys, Dept Phys & Astron, Lincoln, NE 68588 USA

[2] Univ Nebraska, Behlen Lab Phys, Ctr Mat Res & Anal, Lincoln, NE 68588 USA

[3] Ecole Polytech Fed Lausanne, Dept Phys, CH-1015 Lausanne, Switzerland

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2003年 / 107卷 / 36期

关键词：

D O I：

10.1021/jp0354088

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 compare the adsorption, bonding, and electronic structure of closo-1,2 dicarbadodecaborane (orthocarborane, C2B10H12) and closo-1,7 dicarbadodecaborane (metacarborane, C2B10H12) on metal surfaces. The electronic structure (molecular orbitals) of these two isomer molecules are calculated to be very similar, but there are significant differences in the experimental binding energies for each isomer as an adsorbed species. Metacarborane adsorbs on both Co and Au with the Fermi level (chemical potential) placed closer to the lowest unoccupied molecular orbital than is observed with orthocarborane adsorbed on Co and Cu.

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收藏

页码：9620 / 9623

页数：4

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