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arXiv · 1509.02020

Tuning the van der Waals Interaction of Graphene with Molecules via Doping

Felix Huttmann·Antonio J. Martínez-Galera·Vasile Caciuc·Nicolae Atodiresei·Stefan Schumacher·Sebastian Standop·Ikutaro Hamada·Tim O. Wehling·Stefan Blügel·Thomas Michely
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Abstract

We use scanning tunneling microscopy to visualize and thermal desorption spectroscopy to quantitatively measure that the binding of naphthalene molecules to graphene (Gr), a case of pure van der Waals (vdW) interaction, strengthens with $n$- and weakens with $p$-doping of Gr. Density functional theory calculations that include the vdW interaction in a seamless, ab initio way accurately reproduce the observed trend in binding energies. Based on a model calculation, we propose that the vdW interaction is modified by changing the spatial extent of Gr's $π$ orbitals via doping.

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Felix Huttmann, Antonio J. Martínez-Galera, Vasile Caciuc, Nicolae Atodiresei, Stefan Schumacher, Sebastian Standop, Ikutaro Hamada, Tim O. Wehling, Stefan Blügel, Thomas Michely. 2015-09-07. Tuning the van der Waals Interaction of Graphene with Molecules via Doping. https://doi.org/10.1103/physrevlett.115.236101

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