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Multiwalled carbon nanotubes encapsulated with core-shell α-Fe/Fe3C nanoparticles: Experimental analysis and DFT calculations
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DOI：10.1016/j.physb.2026.418740.png)
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Abstract
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• Bamboo-like MWCNTs encapsulating Fe3C-αFe nanoparticles were synthesized via CVD • Unique hard (Fe3C) and soft (α-Fe) magnetic phases coexist within the carbon shell • DFT simulations validate the structural stability and local magnetic properties • First-principles simulations provide microscopic insight into the local magnetism
Keywords:
MWCNTs
Fe3C-αFe nanoparticles
DFT simulations
magnetic properties
core-shell structure
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