Published in
Wiley, Angewandte Chemie International Edition, 52(52), p. 14237-14241, 2013
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Nickel Cluster Growth on Defect Sites of Graphene: A Computational Study
Journal article published in 2013 by
Wang Gao,
Jonathan E. Mueller,
Josef Anton,
Qing Jiang 
,
Timo Jacob
,
Timo Jacob
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Abstract
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<4) efficiently open the band gap of defective graphene, allowing a way to modulate the electronic properties of the graphene.