Adsorption properties of CoPc molecule on epitaxial graphene/Ru(0001)

•The adsorption behavior of CoPc on MG/Ru(0001) was investigated by STM and DFT.•The impact of the defect in MG/Ru(0001) on the adsorption properties was studied.•A central contrast was found for CoPcs adsorbed on intact and defective graphene. Combining the scanning tunneling microscopy (STM) and d...

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Published in:Applied surface science 2015-02, Vol.327, p.517-522
Main Authors: Cai, Yiliang, Zhang, Hanjie, Song, Junjie, Zhang, Yuxi, Bao, Shining, He, Pimo
Format: Article
Language:English
Subjects:
Adsorption
Coupling (molecular)
Density functional theory
Epitaxial graphene
Epitaxy
Graphene
Lattice vacancies
Monolayers
Organic semiconductor
Scanning tunneling microscopy
Surface chemistry
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description •The adsorption behavior of CoPc on MG/Ru(0001) was investigated by STM and DFT.•The impact of the defect in MG/Ru(0001) on the adsorption properties was studied.•A central contrast was found for CoPcs adsorbed on intact and defective graphene. Combining the scanning tunneling microscopy (STM) and density functional theory (DFT), the adsorption properties of cobalt phthalocyanine (CoPc) on monolayer graphene/Ru(0001) [MG/Ru(0001)] have been investigated. At monolayer coverage, CoPc forms an ordered Kagome lattice, and a slight deformation for one lobe of CoPc and charge transfer from CoPc to Ru(0001) substrate take place. The existence of the defect (vacancy) in graphene on Ru(0001) increases the coupling between the Ru substrate and the epitaxial graphene. Such an increase of the coupling brings about an overall CoPc molecular energy level shift toward the low binding energy, which subsequently results in a central topographical contrast between the CoPc molecules on the intact and defective MG/Ru(0001).
doi_str_mv 10.1016/j.apsusc.2014.11.184
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subjects Adsorption
Coupling (molecular)
Density functional theory
Epitaxial graphene
Epitaxy
Graphene
Lattice vacancies
Monolayers
Organic semiconductor
Scanning tunneling microscopy
Surface chemistry
title Adsorption properties of CoPc molecule on epitaxial graphene/Ru(0001)
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