Distinguishing two isomers of Nd@C82 by scanning tunneling microscopy and density functional theory

被引：13

作者：

Leigh, DF

Owen, JHG

Lee, SM

Porfyrakis, K

Ardavan, A

Dennis, TJS

Pettifor, DG

Briggs, GAD

机构：

[1] Univ Oxford, Dept Mat, Oxford OX1 3PH, England

[2] Univ Oxford, Dept Phys, Oxford OX1 3PH, England

[3] Queen Mary Univ London, Mat Res Ctr, London E1 4NS, England

来源：

CHEMICAL PHYSICS LETTERS | 2005年 / 414卷 / 4-6期

基金：

英国工程与自然科学研究理事会;

关键词：

D O I：

10.1016/j.cplett.2005.08.090

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：

Two different structural isomers of Nd@C-82 have been isolated using two-stage high-performance liquid chromatography. Their molecular orbital structures have been studied by a combination of scanning tunneling microscopy (STM) and density functional theory (DFT). Matching filled and empty-states STM images to DFT calculations allowed us to distinguish directly between the two isomers on the surface. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：307 / 310

页数：4

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