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论文类型：期刊论文

发表时间：2012-09-01

发表刊物：PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

收录刊物：SCIE、EI、Scopus

卷号：46

页面范围：6-11

ISSN号：1386-9477

摘要：First-principles calculations were carried out to explore the geometry, energetic stability and magnetic property of cobalt nanoclusters adsorbed on graphene. Three structural isomers of Co-13 clusters (icosahedron, fcc, and hcp) were chosen as model systems for ferromagnetic nanoclusters. The adsorption energies for these three types of Co-13 clusters supported on graphene range between 1.66 and 2.21 eV. Both binding energy and adsorption energy first decrease with reducing coverage and then converge to invariant values at the coverage of 21.7%, which is originated from the interaction between the Co-13 cluster and its periodic images. Regardless the detailed cluster configuration, the cluster-graphene interaction reduces the magnetic moment of the Co-13 cluster by similar to 20% compared with its free-standing counterpart. Most importantly, induced magnetic moments of graphene due to Co-13 adsorption were observed, which may offer a new opportunity to tune the magnetic properties of graphene for its device applications. (c) 2012 Elsevier B.V. All rights reserved.