Greatly enhanced adsorption of platinum on periodic graphene nanobuds: A first-principles study

•Pt adsorption on periodic graphene nanobuds (PGNBs) was investigated applying DFT.•We have been performed full structural relaxation for all the possible interaction sites.•Binding energies and electronics analysis were calculated for the considered systems.•Type II PGNB captured Pt atom, stronger...

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Veröffentlicht in:	Applied surface science 2015-10, Vol.351, p.1105-1115
Hauptverfasser:	Ashrafian, S., Jahanshahi, M., Ganji, M. Darvish, Agheb, R.
Format:	Artikel
Sprache:	eng
Schlagworte:	Ab initio MD simulation Adsorption Binding energy Density of states DFT Fullerenes Graphene Nanostructure Periodic graphene nanobuds Platinum Surface chemistry
Online-Zugang:	Volltext
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