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|Title:||Incorporating isolated molybdenum (Mo) atoms into bilayer epitaxial graphene on 4H-SiC(0001)||Authors:||Wan, W.
|Keywords:||density functional theory
scanning tunneling microscopy
|Issue Date:||28-Jan-2014||Citation:||Wan, W., Li, H., Huang, H., Wong, S.L., Lv, L., Gao, Y., Wee, A.T.S. (2014-01-28). Incorporating isolated molybdenum (Mo) atoms into bilayer epitaxial graphene on 4H-SiC(0001). ACS Nano 8 (1) : 970-976. ScholarBank@NUS Repository. https://doi.org/10.1021/nn4057929||Abstract:||The atomic structures and electronic properties of isolated Mo atoms in bilayer epitaxial graphene (BLEG) on 4H-SiC(0001) are investigated by low temperature scanning tunneling microscopy (LT-STM). LT-STM results reveal that isolated Mo dopants prefer to substitute C atoms at α-sites and preferentially locate between the graphene bilayers. First-principles calculations confirm that the embedding of single Mo dopants within BLEG is energetically favorable as compared to monolayer graphene. The calculated band structures show that Mo-incorporated BLEG is n-doped, and each Mo atom introduces a local magnetic moment of 1.81 μB into BLEG. Our findings demonstrate a simple and stable method to incorporate single transition metal dopants into the graphene lattice to tune its electronic and magnetic properties for possible use in graphene spin devices. © 2013 American Chemical Society.||Source Title:||ACS Nano||URI:||http://scholarbank.nus.edu.sg/handle/10635/96902||ISSN:||19360851||DOI:||10.1021/nn4057929|
|Appears in Collections:||Staff Publications|
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