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

Abstract:
Two different structural isomers of Nd@C82 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. © 2005 Elsevier B.V. All rights reserved.

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Institution:
University of Oxford
Department:
Oxford, MPLS, Materials
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Institution:
University of Oxford
Department:
Oxford, MPLS, Physics, Condensed Matter Physics
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Journal:
Chemical Physics Letters
Volume:
414
Issue:
4-6
Pages:
307-310
Publication date:
2005-10-14
DOI:
ISSN:
0009-2614
URN:
uuid:2ca1759a-b337-4af2-b5c4-72b8fdcef089
Source identifiers:
134153
Local pid:
pubs:134153
Language:
English

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