title: Electrically Tunable van der Waals Interaction in Graphene-Molecule Complex.
abstract: van der Waals (vdW) interactions play a central role in the surface-related physics and chemistry. Tuning of the correlated charge fluctuation in a vdW complex is a plausible way of modulating the molecules interaction at the atomic surface. Here, we report the vdW interaction tunability of the graphene-CO2 complex by combining the first-principles calculations with the vdW density functionals and the time evaluation measurements of CO2 molecules adsorption/desorption on graphene under an external electric field. The field-dependent charge transfer within the complex unveils the controllable tuning of CO2 from acceptor to donor. Meanwhile, the configuration of the adsorbed molecule, the equilibrium distance from graphene and O-C-O bonding angle, is modified accordingly. The range of electrical tunability is a unique feature for each type of molecule.
authors.affiliation: School of Materials Science, Japan Advanced Institute of Science and Technology , Nomi 923-1211, Japan.
authors.forename: Manoharan
authors.initials: M
authors.lastname: Muruganathan
authors.affiliation: School of Materials Science, Japan Advanced Institute of Science and Technology , Nomi 923-1211, Japan.
authors.forename: Jian
authors.initials: J
authors.lastname: Sun
authors.affiliation: School of Materials Science, Japan Advanced Institute of Science and Technology , Nomi 923-1211, Japan.
authors.forename: Tomonori
authors.initials: T
authors.lastname: Imamura
authors.affiliation: School of Materials Science, Japan Advanced Institute of Science and Technology , Nomi 923-1211, Japan.|Nanoelectronics and Nanotechnologies Research Group, Faculty of Physical Sciences and Engineering, University of Southampton , Highfield, Southampton SO17 1BJ, U.K.
authors.forename: Hiroshi
authors.initials: H
authors.lastname: Mizuta
keywords: electrical tunability of vdW interaction; field-dependent charge transfer; graphene−molecule vdW complexes; van der Waals complex