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Intrinsic Half-Metallicity In Modified Graphene Nanoribbons

PHYSICAL REVIEW LETTERS, no. 9 (2009): 096601-096601

Cited: 340|Views16
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Abstract

We perform first-principles calculations based on density functional theory to study quasi-one-dimensional edge-passivated (with hydrogen) zigzag graphene nanoribbons of various widths with chemical dopants, boron and nitrogen, keeping the whole system isoelectronic. The gradual increase in doping concentration takes the system finally to...More

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