Nickel Cluster Growth on Defect Sites of Graphene: A Computational Study

Watching the defectives: DFT studies on the growth of nickel clusters on different graphene substrates shows that graphene defects essentially determine the morphology of the clusters. Defects greatly improve the catalytic reactivity of the larger clusters Nin (5≤n≤10). Smaller clusters Nin (n

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Bibliographic Details
Published in:Angewandte Chemie International Edition 2013-12, Vol.52 (52), p.14237-14241
Main Authors: Gao, Wang, Mueller, Jonathan E., Anton, Josef, Jiang, Qing, Jacob, Timo
Format: Article
Language:English
Subjects:
carbides
Catalysis
Catalysts
Clusters
Computation
Defects
density functional calculations
Electronic properties
Graphene
graphene defects
nanoparticles
Nickel
semiconductors
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Summary:Watching the defectives: DFT studies on the growth of nickel clusters on different graphene substrates shows that graphene defects essentially determine the morphology of the clusters. Defects greatly improve the catalytic reactivity of the larger clusters Nin (5≤n≤10). Smaller clusters Nin (n
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.201305001