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Visualizing the orientational dependence of an intermolecular potential

Jarvis, Samuel P.; Rashid, Mohammad A.; Sweetman, Adam; Rashid, Mohammad Abdur; Jarvis, Samuel Paul; Dunn, Janette L.; Rahe, Philipp; Moriarty, Philip

Authors

Samuel P. Jarvis

Mohammad A. Rashid

Adam Sweetman

Mohammad Abdur Rashid

Samuel Paul Jarvis

Janette L. Dunn

Philipp Rahe

Philip Moriarty



Abstract

Scanning probe microscopy can now be used to map the properties of single molecules with intramolecular precision by functionalization of the apex of the scanning probe tip with a single atom or molecule. Here we report on the mapping of the three-dimensional potential between fullerene (C₆₀) molecules in different relative orientations, with sub-Angstrom resolution, using dynamic force microscopy (DFM). We introduce a visualization method which is capable of directly imaging the variation in equilibrium binding energy of different molecular orientations. We model the interaction using both a simple approach based around analytical Lennard–Jones potentials, and with dispersion-force-corrected density functional theory (DFT), and show that the positional variation in the binding energy between the molecules is dominated by the onset of repulsive interactions. Our modelling suggests that variations in the dispersion interaction are masked by repulsive interactions even at displacements significantly larger than the equilibrium intermolecular separation.

Journal Article Type Article
Publication Date 2016-12
Journal Nature Communications
Electronic ISSN 2041-1723
Publisher Nature Publishing Group
Peer Reviewed Peer Reviewed
Volume 7
Article Number 10621
APA6 Citation Jarvis, S. P., Rashid, M. A., Sweetman, A., Rashid, M. A., Jarvis, S. P., Dunn, J. L., …Moriarty, P. (2016). Visualizing the orientational dependence of an intermolecular potential. Nature Communications, 7, https://doi.org/10.1038/ncomms10621
DOI https://doi.org/10.1038/ncomms10621
Publisher URL http://www.nature.com/articles/ncomms10621
Related Public URLs https://rdmc.nottingham.ac.uk/handle/internal/74
Copyright Statement Copyright information regarding this work can be found at the following address: http://creativecommons.org/licenses/by/4.0

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Copyright Statement
Copyright information regarding this work can be found at the following address: http://creativecommons.org/licenses/by/4.0





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