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
收藏
页码：307 / 310
页数：4
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