Journal
ACS NANO
Volume 8, Issue 1, Pages 970-976Publisher
AMER CHEMICAL SOC
DOI: 10.1021/nn4057929
Keywords
molybdenum; epitaxial graphene; silicon carbide; scanning tunneling microscopy; density functional theory
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Funding
- NRF-CRP [R-143-000-360-281, R-144-000-295-281]
- Central South University
- NSF of China [11304398]
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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 alpha-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 mu(B) 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.
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