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- W2023241391 abstract "The structural and electronic properties of $mathrm{Fe}{mathrm{Cl}}_{3}$ interacting with single-wall carbon nanotubes (SWNTs) were investigated by ab initio methods. By using first-principles spin-polarized calculations, we studied the structural and electronic behavior of $mathrm{Fe}{mathrm{Cl}}_{3}$ adsorbed on both semiconducting and metallic SWNTs. It was found that the $mathrm{Fe}{mathrm{Cl}}_{3}$ molecule behaves as an electron acceptor. The binding energy is very small, thus suggesting that the interaction is through a physisorption regime." @default.
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- W2023241391 date "2005-12-01" @default.
- W2023241391 modified "2023-10-03" @default.
- W2023241391 title "Electronic properties of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mi mathvariant=normal>Fe</mml:mi><mml:msub><mml:mi mathvariant=normal>Cl</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>-adsorbed single-wall carbon nanotubes" @default.
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- W2023241391 doi "https://doi.org/10.1103/physrevb.72.233401" @default.
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