Seminar of the Department of Physics

[marzolino at ts.infn.it]

Dear professors, researchers and students

I would like to announce the seminar held by Nahid Ghaderi (Dept. of
Physics Univ. of Trieste & CNR-IOM Theory at Elettra Group) on Thursday, 10
June, at 3pm in Room 204 of the Department of Physics
(Leonardo Building).
Everyone who is interested is welcome.

TITLE:
Adsorption of functional groups on perfect and defective graphene


ABSTRACT:
Oxygen-containing functional groups can be present intentionally or
unintentionally in considerable amount at graphene surface and edges.
The physical properties and chemical reactivity of graphene can be
affected by the presence of oxygen-containing functional groups and other
molecules.
Controlling the environment could change intentionally the population of
each functional group and open a way to engineer such properties.
We focus here in particular on hydroxyl functional groups on perfect and
defected graphene and we characterize the binding mechanism
in different adsorption configurations, discussing also  magnetic and
electronic properties.
We found that the hydroxyl functional group weakly adsorbs individually on
perfect graphene, whereas the interaction with the surface is stronger in
case of adsorption of pairs or triplets or larger structures,
or in case of defective graphene sheets. At high coverage hydroxyl
functional groups react with each other and water formation, together with
epoxy groups, can be achieved with a rather low barrier.
We discuss also the case of dissociative adsorption on vacancies.


Best regards,
Ugo Marzolino.


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