Graphite oxide and aromatic amines: Size matters

Konstantinos Spyrou, Matteo Calvaresi, Evmorfia K. Diamanti, Theodoros Tsoufis, Dimitrios Gournis, Petra Rudolf*, Francesco Zerbetto

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

24 Citations (Scopus)


Experimental and theoretical studies are performed in order to illuminate, for fi rst time, the intercalation mechanism of polycyclic aromatic molecules into graphite oxide. Two representative molecules of this family, aniline and naphthalene amine are investigated. After intercalation, aniline molecules prefer to covalently connect to the graphene oxide matrix via chemical grafting, while napthalene amine molecules bind with the graphene oxide surface through π-π interactions. The presence of intercalated aromatic molecules between the graphene oxide layers is demonstrated by X-ray diffraction, while the type of interaction between graphene oxide and polycyclic organic molecules is elucidated by X-ray photoelectron spectroscopy. Combined quantum mechanical and molecular mechanical calculations describe the intercalation mechanism and the aniline grafting, rationalizing the experimental data. The present work opens new perspectives for the interaction of various aromatic molecules with graphite oxide and the so-called "intercalation chemistry".

Original languageEnglish
Pages (from-to)263-269
Number of pages7
JournalAdvanced Functional Materials
Issue number2
Early online date12 Nov 2014
Publication statusPublished - 08 Jan 2015
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Biomaterials
  • Condensed Matter Physics
  • Electrochemistry

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