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- W2109332886 abstract "Electron-beam mediated substitutional doping of monolayer MoS2 was recently demonstrated, opening a new way to modify its properties. Using first-principles calculations, the structural, electronic and magnetic properties of monolayer MoS2 doped with nonmetal and transition-metal atoms are investigated. All dopants are strongly bound to the structures, inducing interesting magnetic behaviors. While all H, B, N and F-doped monolayers have magnetic moment of 1.0 μB, V, Cr, Mn, Fe and Co-doped ones attain 1.0, 4.0, 3.0, 3.0 and 1.0 μB, respectively. Additionally, MoS2 undergoes transition from semiconductor to half-metal in the presence of H, B or Cr doping." @default.
- W2109332886 created "2016-06-24" @default.
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- W2109332886 date "2013-08-01" @default.
- W2109332886 modified "2023-10-11" @default.
- W2109332886 title "Functionalization of monolayer MoS2 by substitutional doping: A first-principles study" @default.
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- W2109332886 doi "https://doi.org/10.1016/j.physleta.2013.03.034" @default.
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