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Electronic Properties of Graphene Functionalized with 2D Molecular Assemblies

Abstract : Graphene has extraordinary properties because of its linear band structure and zero band gap. However, the lack of a band gap hinders the implementation of graphene in electronics; tuning the band gap of graphene would enable a precise control of the charge carriers. One of the promising solutions is to modify graphene with organic molecular building blocks. Organic molecules with a metal ion (metal- porphyrin, metal- phthalocyanine) are potential candidates, because of their robust structure and the fact that their charge and spin properties can be tuned. In this thesis, graphene was prepared by sublimating Si atoms from both Si and C- terminated SiC substrates. Three molecules which carry different spin information were studied by STM experiments. Through collaborations, DFT calculations were used to improve our understanding of the molecule- graphene interaction.The first molecule used in our experiment is Ni- phthalocyanine (NiPc). The Ni²⁺ ion has a 3d⁸ electron configuration, giving a spin- state of 0. The second molecule is Pt- tetraphenylporphyrin (PtTPP(CO₂Me)₄). The Pt²⁺ ion also shows a d8 electron configuration with a spin state of zero. However, the Pt atom is heavier than Ni, which should increase the spin- orbit effects. The third molecule is tetraphenylporphyrin iron(III) chloride (Fe(TPP)Cl). The Fe³⁺ in Fe(TPP)Cl is stable in the high spin state (S=5/2). These three molecules each form well- ordered nearly square lattice molecular networks on graphene. The molecular lattice directions are dominated by the graphene symmetry, while the molecular orientations depend on the molecule- molecule interactions. The electronic couplings between each of three molecules and graphene are via the Van der Waals forces, which gives rise to the capacitive molecular- layer/ graphene interfaces. The electronic interactions between FeTPP molecules and graphene are stronger than those between NiPc or PtTPP molecules and graphene. The studies of the organic molecules with different spin information on the graphene has the potential to pave the way for the application of organometallic molecules/graphene interface in spintronic devices.
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Submitted on : Saturday, January 15, 2022 - 1:01:08 AM
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  • HAL Id : tel-03527125, version 1


Mali Zhao. Electronic Properties of Graphene Functionalized with 2D Molecular Assemblies. Chemical Physics [physics.chem-ph]. Université Paris Saclay (COmUE), 2017. English. ⟨NNT : 2017SACLS013⟩. ⟨tel-03527125⟩



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