Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 130, Issue 49, Pages 16739-16744Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ja805545x
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Funding
- NSFC [20873067, 50502021]
- SRF for ROCS, SEM and in the United States by NSF Grant [CHE-0716718]
- US Environmental Protection Agency [RD-83385601]
- Institute for Functional Nanornaterials [0701525]
- RPI Startup Fund [146316]
- DOE/OS/BES [DEAC36-99GO10337]
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First-principles computations were carried out to predict the stability and magnetic and electronic properties of MoS2 nanoribbons with either zigzag- or armchair-terminated edges. Zigzag nanoribbons show the ferromagnetic and metallic behavior, irrespective of the ribbon width and thickness. Armchair nanoribbons are nonmagnetic and semiconducting, and the band gaps converge to a constant value of similar to 0.56 eV as the ribbon width increases. The higher stability Of MoS2 nanoribbons, compared with the experimentally available triangular MoS2 nanoclusters, invites the experimental realization of such novel ribbons in true nanoscale.
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