Journal Article

FZJ-2016-00755

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Tuning the van der Waals Interaction of Graphene with Molecules via Doping

Huttmann, F. (Corresponding author) ; Martínez-Galera, A. J. ; Caciuc, V.FZJ* ; Atodiresei, N.FZJ* ; Schumacher, S. ; Standop, S. ; Hamada, I. ; Wehling, T. O. ; Blügel, S.FZJ* ; Michely, T.

2015
APS College Park, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/11151  doi:10.1103/PhysRevLett.115.236101

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

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Contributing Institute(s):

1. Quanten-Theorie der Materialien (IAS-1)
2. Quanten-Theorie der Materialien (PGI-1)
3. JARA-FIT (JARA-FIT)

Research Program(s):

1. 142 - Controlling Spin-Based Phenomena (POF3-142) (POF3-142)
2. 143 - Controlling Configuration-Based Phenomena (POF3-143) (POF3-143)

Appears in the scientific report 2015

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Database coverage:
; ; ; Current Contents - Physical, Chemical and Earth Sciences ; IF >= 5 ; JCR ; NCBI Molecular Biology Database ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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