DFT Studies on the Interaction of Defective Graphene-Supported Fe and Al Nanoparticles

The structural, electronic, and magnetic properties of Fe13 and Al13 nanoparticles adsorbed on monovacancy defective graphene have been determined using density functional theory with the generalized gradient approximation (GGA). Graphene vacancies are used as anchoring points for these pure metal n...

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Veröffentlicht in:	Journal of Physical Chemistry C 2011-05, Vol.115 (18), p.8961-8970
Hauptverfasser:	Lim, Dong-Hee, Negreira, Ana Suarez, Wilcox, Jennifer
Format:	Artikel
Sprache:	eng
Schlagworte:	C: Nanops and Nanostructures catalysis (heterogeneous), solar (fuels), photosynthesis (natural and artificial), bio-inspired, electrodes - solar, defects, charge transport, materials and chemistry by design, synthesis (novel materials)
Online-Zugang:	Volltext
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