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Jahn-Teller effects and surface interactions in multiply-charged fullerene anions and the effect on scanning tunneling microscopy images

Dunn, Janette L.; Alqannas, Haifa S.; Lakin, Andrew J.

Authors

Janette L. Dunn

Haifa S. Alqannas

Andrew J. Lakin



Abstract

We investigate the combined effects of Jahn-Teller (JT) coupling and interactions with a surface substrate on fullerene anions C$_{60}^{2-}$ to C$_{60}^{4-}$. JT coupling alone causes the C$_{60}$ ions to instantaneously distort from the icosahedral symmetry of the neutral molecule to a lower symmetry, with the molecule moving dynamically between a set of equivalent distortions. When adsorbed on a surface, the number of equivalent minimum-energy distortions is reduced. The implications of this on observed scanning tunneling microscopy (STM) images will be discussed, and comparisons made with existing experimental data. We show that a consistent interpretation of the images from all of the charge states of C$_{60}$ can only be obtained using a JT model in which the symmetry is further reduced by surface interactions. The comparison with experimental data also allows us to determine relationships between the quadratic Jahn-Teller coupling and surface interaction parameters.

Citation

Dunn, J. L., Alqannas, H. S., & Lakin, A. J. (2015). Jahn-Teller effects and surface interactions in multiply-charged fullerene anions and the effect on scanning tunneling microscopy images. Chemical Physics, 460, 14-25. https://doi.org/10.1016/j.chemphys.2015.05.016

Journal Article Type Article
Acceptance Date Mar 31, 2015
Online Publication Date May 27, 2015
Publication Date Oct 16, 2015
Deposit Date Jul 15, 2015
Publicly Available Date May 28, 2017
Journal Chemical Physics
Print ISSN 0301-0104
Electronic ISSN 0301-0104
Publisher Elsevier
Peer Reviewed Peer Reviewed
Volume 460
Pages 14-25
DOI https://doi.org/10.1016/j.chemphys.2015.05.016
Keywords Jahn-Teller, Fullerene, Fulleride, STM
Public URL http://eprints.nottingham.ac.uk/id/eprint/29313
Publisher URL http://www.sciencedirect.com/science/article/pii/S0301010415001408
Copyright Statement Copyright information regarding this work can be found at the following address: http://creativecommons.org/licenses/by-nc-nd/4.0

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