Analysis of scanning tunneling spectroscopy experiments from first principles:: The test case of C60 adsorbed on Au(111)

被引：32
作者：
Pérez-Jiménez, AJ
Palacios, JJ
Louis, E
Sanfabián, E
Vergés, JA
机构：
[1] Univ Alicante, Dept Quim Fis, Alicante 03080, Spain
[2] Univ Alicante, Dept Fis Aplicada, Alicante 03080, Spain
[3] CSIC, Inst Ciencia Mat Madrid, Madrid 28049, Spain
来源：
CHEMPHYSCHEM | 2003年 / 4卷 / 04期
关键词：
ab initio calculations; adsorption; density functional calculations; fullerenes; scanning probe microscopy;
D O I：
10.1002/cphc.200390068
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：
A whole new ball game: For the first time, an ab initio method yielding the conductance of molecular nanobridges is able to reproduce the most delicate features of STS experiments involving adsorption of C60 on a gold surface (see graphic). This facilitates the interpretation of scanning tunneling spectros-copy results.
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收藏
页码：388 / 392
页数：5
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