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- W3150553880 abstract "The structural and electronic properties of zigzag edge silicene nanoribbons (ZSiNRs) doped with a single C chain have been studied by first-principles projector augmented wave (PAW) potential within the density function theory (DFT) framework. The results show that the C chain is almost close to a straight one which results in a transverse contraction near C chain and thus the ribbon width. The C–Si and Si–H bonds are typical ionic bonds while the C–H bond is a covalence bond. ZSiNRs doped with a single C chain are all metallic independent of the position of the C chain. All these results have been explained satisfactory from the electronegativity difference and the bound force to the electrons because of the atom radius difference between the elements." @default.
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- W3150553880 date "2013-09-01" @default.
- W3150553880 modified "2023-09-30" @default.
- W3150553880 title "Structural and electronic properties of a single C chain doped zigzag silicene nanoribbon" @default.
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- W3150553880 doi "https://doi.org/10.1016/j.physe.2013.05.002" @default.
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