TY - JOUR
T1 - Growth Mechanism of Metal Clusters on a Graphene/Ru(0001) Template
AU - Zhang, L. Z.
AU - Du, S. X.
AU - Sun, J. T.
AU - Huang, L.
AU - Meng, L.
AU - Xu, W. Y.
AU - Pan, L. D.
AU - Pan, Y.
AU - Wang, Y. L.
AU - Hofer, W. A.
AU - Gao, H. J.
N1 - Publisher Copyright:
© 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
PY - 2014/6/1
Y1 - 2014/6/1
N2 - Using first-principles calculations combined with scanning tunneling microscopy experiments, we investigated the adsorption configurations, electronic structures and the corresponding growth mechanism of several transition metal (TM) atoms (Pt, Ru, Ir, Ti, Pd, Au, Ag, and Cu) on a graphene/Ru(0001) moiré template (G/Ru(0001)) at low coverage. We find that Pt, Ru, Ir, and Ti selectively adsorb on the fcc region of G/Ru(0001) and form ordered dispersed metal nanoclusters. This behavior is due to the unoccupied d orbital of the TM atoms and the strong sp3 hybridization of carbon atoms in the fcc region of G/Ru(0001). Pd, Au, Ag, and Cu form nonselective structures because of the fully occupied d orbital. This mechanism can be extended to metals on a graphene/Rh(111) template. By using Pt as an example, we provide a layer by layer growth path for Pt nanoclusters in the fcc region of the G/Ru(0001). The simulations of growth mechanism agree well with the experimental observations. Moreover, they also provide guidance for the selection of suitable metal atoms to form ordered dispersed metal nanoclusters on similar templates. The growth mechanism of transition metal atoms on a graphene/metal templates is investigated by using first-principles calculations combined with scanning tunneling microscopy experiments. Both the local sp3 hybridization of the substrate and the occupation of the outermost orbital of the adsorbates determine the interaction between the adsorbates and the graphene/metal, and thus determine the morphology of the adsorbates.
AB - Using first-principles calculations combined with scanning tunneling microscopy experiments, we investigated the adsorption configurations, electronic structures and the corresponding growth mechanism of several transition metal (TM) atoms (Pt, Ru, Ir, Ti, Pd, Au, Ag, and Cu) on a graphene/Ru(0001) moiré template (G/Ru(0001)) at low coverage. We find that Pt, Ru, Ir, and Ti selectively adsorb on the fcc region of G/Ru(0001) and form ordered dispersed metal nanoclusters. This behavior is due to the unoccupied d orbital of the TM atoms and the strong sp3 hybridization of carbon atoms in the fcc region of G/Ru(0001). Pd, Au, Ag, and Cu form nonselective structures because of the fully occupied d orbital. This mechanism can be extended to metals on a graphene/Rh(111) template. By using Pt as an example, we provide a layer by layer growth path for Pt nanoclusters in the fcc region of the G/Ru(0001). The simulations of growth mechanism agree well with the experimental observations. Moreover, they also provide guidance for the selection of suitable metal atoms to form ordered dispersed metal nanoclusters on similar templates. The growth mechanism of transition metal atoms on a graphene/metal templates is investigated by using first-principles calculations combined with scanning tunneling microscopy experiments. Both the local sp3 hybridization of the substrate and the occupation of the outermost orbital of the adsorbates determine the interaction between the adsorbates and the graphene/metal, and thus determine the morphology of the adsorbates.
KW - first-principles calculations
KW - graphene/Ru(0001) template
KW - metal nanoclusters
KW - selective growth
UR - http://www.scopus.com/inward/record.url?scp=84938110919&partnerID=8YFLogxK
U2 - 10.1002/admi.201300104
DO - 10.1002/admi.201300104
M3 - Article
AN - SCOPUS:84938110919
SN - 2196-7350
VL - 1
JO - Advanced Materials Interfaces
JF - Advanced Materials Interfaces
IS - 3
M1 - 1300104
ER -