Premium
Nickel Cluster Growth on Defect Sites of Graphene: A Computational Study
Author(s) -
Gao Wang,
Mueller Jonathan E.,
Anton Josef,
Jiang Qing,
Jacob Timo
Publication year - 2013
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201305001
Subject(s) - graphene , cluster (spacecraft) , nickel , reactivity (psychology) , nanotechnology , materials science , service (business) , computer science , business , medicine , metallurgy , alternative medicine , pathology , marketing , programming language
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 Ni n (5≤ n ≤10). Smaller clusters Ni n ( n <4) efficiently open the band gap of defective graphene, allowing a way to modulate the electronic properties of the graphene.