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Paramagnetic adsorbates on graphene: A charge transfer analysis
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10.1063/1.2949753
/content/aip/journal/apl/92/24/10.1063/1.2949753
http://aip.metastore.ingenta.com/content/aip/journal/apl/92/24/10.1063/1.2949753

Figures

Image of FIG. 1.
FIG. 1.

The dependence of the bond length of a molecule on the extra charge placed on the molecule.

Image of FIG. 2.
FIG. 2.

Supercell dependence of the charge transfer between a molecule and graphene for different MP grids. The inset shows a graphene supercell.

Image of FIG. 3.
FIG. 3.

Spin-polarized DOS for adsorbed on graphene calculated with a MP grid for a supercell. The LUMO of the molecule and the Fermi energy are indicated. The inset shows the orbitals of the molecule (the LUMO) and graphene between which the electron transfer takes place.

Image of FIG. 4.
FIG. 4.

Distance, , of the LUMO to the Dirac point with respect to the number of carbon atoms used in the supercell. The inset shows a close up of the total DOS of graphene with an adsorbed molecule around the Dirac point.

Tables

Generic image for table
Table I.

The charge transfer from graphene to calculated with different methods.

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/content/aip/journal/apl/92/24/10.1063/1.2949753
2008-06-20
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Paramagnetic adsorbates on graphene: A charge transfer analysis
http://aip.metastore.ingenta.com/content/aip/journal/apl/92/24/10.1063/1.2949753
10.1063/1.2949753
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