Fluorination-induced magnetism in boron nitride nanotubes from <i>ab initio</i> calculations

Li, Feng; Zhu, Zhonghua; Yao, Xiangdong; Lu, Gao Qing; Zhao, Mingwen; Xia, Yueyuan; Chen, Ying

doi:10.1063/1.2894507

Cited by 56 publications

(58 citation statements)

References 27 publications

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“…[8] However, the methods to prepare BNNSs are fewer and less effective than that of graphene, which is partially due to the stronger interactions among neighboring hexagonal boron nitride (h-BN) layers that make the exfoliation of BNNSs from bulk h-BN more difficult than peeling off graphene from graphite. For example, Li et al [16] predicted that the chemisorption of fluorine atoms onto the boron atoms in BNNT can induce spontaneous magnetization. [13][14][15] The published studies on the possible magnetic properties of fluorinated BNNSs (F-BNNSs) or boron nitride nanotubes (F-BNNTs) are of theoretical nature.…”

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confidence: 99%

One‐Step Exfoliation and Fluorination of Boron Nitride Nanosheets and a Study of Their Magnetic Properties

Wang

et al. 2014

Angew Chem Int Ed

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145

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A novel, simple, and efficient method for the preparation of the fluorinated hexagonal boron nitride nanosheets (F-BNNSs) and the corresponding magnetic properties is presented. A one-step route is used to exfoliate and fluorinate the BNNSs by ammonium fluoride (NH4F) from hexagonal boron nitride (h-BN) powder. Through related instrument characterizations and theoretical calculations, we confirm that large-area and few-layer F-BNNSs were successfully produced by this method, which can be attributed to a fluorination-assisted exfoliation mechanism from the bulk h-BN in NH4F. More intriguingly, we initially verified that the as-prepared F-BNNSs exhibit ferromagnetic characteristics, which would have good potential applications in spintronic devices.

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One‐Step Exfoliation and Fluorination of Boron Nitride Nanosheets and a Study of Their Magnetic Properties

Wang

et al. 2014

Angew Chem Int Ed

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145

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“…Previous investigations have shown that the adsorption of light element on carbon, BN, ZnO, and SiC nanotubes can induce magnetism (Hao et al 2006;Li et al 2008Li et al , 2009Lii et al 2008;Meng et al 2007;Wu et al 2005;Zhang and Guo 2009;Zhao and Ding 2008b). Next we systematically discuss the electronic and magnetic properties of the Li adsorption on SiC nanotubes.…”

Section: Resultsmentioning

confidence: 98%

Theoretical studies of the lithium atom on the silicon carbide nanotubes

Chen

Wang

et al. 2014

J Nanopart Res

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Based on density functional theory method, we have investigated structural, electronic, and magnetic properties of lithium (Li) atom adsorbed on silicon carbide (SiC) zigzag (9,0) and armchair (5,5) nanotubes. Effective adsorptions are found on both inner-and outer-side of the SiC nanotubes, with adsorption energies ranging from 1.03 to 1.71 eV. Interestingly, we have found that SiC nanotubes exhibit different behaviors with several Li adsorption sites. Li adsorptions on the s-Si and s-H sites of the outer surface and all the five sites of the inner surface in zigzag (9,0) nanotube emerge metallic features, whereas adsorptions on other sides of (9,0) and all sites of armchair (5,5) SiC nanotubes show semiconducting characters. The calculating results also indicate that lithium adsorptions on most sites of SiC nanotubes yield spontaneous magnetization, where net magnetic moment is 1 l B . Additionally, spin density of states, spin density distribution, and charge density difference are also calculated to investigate the electronic and magnetic properties of SiC nanotubes induced by Li adsorption.

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“…BNNTs exhibit therefore clear magnetic properties, mainly due to the Fe catalyst particles used for promoting nanotube growth. However, we should not exclude possible weak magnetic properties of pure BNNTs caused by defects and impurities [24].…”

Section: Bnnt Magnetic Propertiesmentioning

confidence: 99%

Boron Nitride Nanotubes: A Novel Vector for Targeted Magnetic Drug Delivery

Ciofani

Raffa²,

et al. 2009

CNANO

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Whereas several biomedical applications of carbon nanotubes have been proposed, the use of boron nitride nanotubes (BNNTs) in this field has been largely unexplored despite their unique and potentially useful properties. Our group has recently initiated an experimental program aimed at the exploration of the interactions between BNNTs and living cells. In the present paper, we report on the magnetic properties of BNNTs containing Fe catalysts which confirm the feasibility for their use as nanovectors for targeted drug delivery. The magnetisation curves of BNNTs characterised by the present study are typical of superparamagnetic materials with important parameters, including magnetic permeability and magnetic momentum, derived by employing Langevin theory. In-vitro tests have demonstrated the feasibility for influencing the uptake of BNNTs by living cells by exposure to an external magnetic source. A finite element method analysis devised to predict this effect produced predictive data with close agreement with the experimental observations.

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Fluorination-induced magnetism in boron nitride nanotubes from ab initio calculations

Abstract: Articles you may be interested inTransverse dielectric properties of boron nitride nanotubes by ab initio electric field calculations

Cited by 56 publications

References 27 publications

One‐Step Exfoliation and Fluorination of Boron Nitride Nanosheets and a Study of Their Magnetic Properties

One‐Step Exfoliation and Fluorination of Boron Nitride Nanosheets and a Study of Their Magnetic Properties

Theoretical studies of the lithium atom on the silicon carbide nanotubes

Boron Nitride Nanotubes: A Novel Vector for Targeted Magnetic Drug Delivery

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