Nickel Cluster Growth on Defect Sites of Graphene: A Computational Study1. Issue 52 (8th November 2013)

• Record Type: Journal Article
• Authors: Gao, Wang; Mueller, Jonathan E.; Anton, Josef; Jiang, Qing; Jacob, Timo
• Is Part Of: Angewandte Chemie international edition. Volume 52:Issue 52(2013)
• Page Start: 14237
• Page End: 14241
• Publication Date: 2013-11-08
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.201305001
• Languages: English
• ISSNs: 1433-7851

Abstract

<abstract abstract-type="graphical" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <bold>Watching the defectives</bold>: 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 Ni_{<italic>n</italic>} (5≤<italic>n</italic>≤10). Smaller clusters Ni_{<italic>n</italic>} (<italic>n</italic>&lt;4) efficiently open the band gap of defective graphene, allowing a way to modulate the electronic properties of the graphene.<boxed-text content-type="graphic" position="anchor" orientation="portrait"><graphic position="anchor" mimetype="image" xlink:href="ark:/27927/pgg4t3hxgrv" orientation="portrait" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" /></boxed-text></p> </abstract>