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Title: Incorporating isolated molybdenum (Mo) atoms into bilayer epitaxial graphene on 4H-SiC(0001)
Authors: Wan, W.
Li, H.
Huang, H.
Wong, S.L.
Lv, L.
Gao, Y.
Wee, A.T.S. 
Keywords: density functional theory
epitaxial graphene
scanning tunneling microscopy
silicon carbide
Issue Date: 28-Jan-2014
Source: 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.
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
ISSN: 19360851
DOI: 10.1021/nn4057929
Appears in Collections:Staff Publications

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