First-Principles Study of Electronic and Magnetic Properties of 3d Transition Metal-Filled Single-Walled Carbon Nanotubes

Kasai, Koichiro; Moreno, J.; David, Melanie; Sarhan, Abdulla; Shimoji, Nobuaki; Kasai, Hideaki

doi:10.1143/jjap.47.2317

Cited by 7 publications

(4 citation statements)

References 18 publications

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“…They can also be decorated and modified to tailor to specific applications: i.e. metal-filled SWCNTs with modified electronic and magnetic properties [8][9][10][11][12][13]. Hydrogen fuel cells have been the subject of interest in the search for alternative sources of energy.…”

Section: Introductionmentioning

confidence: 99%

A computational study on the effect of local curvature on the adsorption of oxygen on single-walled carbon nanotubes

Moreno

Aspera

David

et al. 2015

Carbon

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a b s t r a c tWe investigated the effect of local curvature on the adsorption of oxygen on single-walled carbon nanotubes based on density functional theory calculations with van der Waals corrections. The results showed that as the curvature increases, the interaction of the nanotubes with oxygen increases as well. An oxygen atom was strongly chemisorbed on the bridge site of the nanotubes accompanied by a significant transfer of charge from the surface to the oxygen atom. Larger curvature enhanced both the adsorption energy and charge transfer due to the greater strain on the carbon atoms that led to a better interaction with oxygen. The oxygen molecule was physisorbed on the nanotubes with the interaction arising mostly from the long-range van der Waals interactions. The adsorption energy was also enhanced by greater curvature. The results were compared with the flat graphene sheet to confirm the effects of surface curvature.

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Section: Introductionmentioning

confidence: 99%

A computational study on the effect of local curvature on the adsorption of oxygen on single-walled carbon nanotubes

Moreno

Aspera

David

et al. 2015

Carbon

Self Cite

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“…The encapsulation of substances inside SWCNTs allows for nanomagnets that outperform their bulky counterparts and control the magnetic properties of these nanohybrids to be obtained. The SWCNTs contribute their own properties to the nanohybrid, which facilitates applications of these nanomagnets in magnetorecording devices [ 174 , 175 , 176 , 177 , 178 , 179 ].…”

Section: Applications Of Filled Swcntsmentioning

confidence: 99%

Metallocene-Filled Single-Walled Carbon Nanotube Hybrids

Kharlamova

Kramberger

2023

Nanomaterials

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In this paper, the growth mechanism, structure, growth processes, growth kinetics, and optical, vibronic and electronic properties of metallocene-filled single-walled carbon nanotubes (SWCNTs) are considered. A description of the procedures used to fill the nanotubes is provided. An investigation of doping effects on metallicity-mixed SWCNTs filled with metallocenes by Raman spectroscopy, near edge X-ray absorption fine structure spectroscopy, photoemission spectroscopy, and optical absorption spectroscopy is described. The studies of doping effects on metallicity-sorted SWCNTs filled with metallocenes are discussed. Doping effects in metallicity-mixed and sorted SWCNTs upon the chemical transformation of encapsulated molecules are analyzed. A discussion of the modification of the electronic properties of filled SWCNTs is presented. Applications of metallocene-filled SWCNTs in electrochemistry, thermoelectric power generation, chemical sensors, and magnetic recording are discussed.

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“…The SWCNTs also bring their own tunable properties (high electrical mobility, tunable band gap, flexibility and transparency, and very light weight) to the composite material. The combination of properties provides the means for applications in magnet-recording devices [98][99][100][101][102][103][104].…”

Section: Overview Of Reportsmentioning

confidence: 99%

Applications of Filled Single-Walled Carbon Nanotubes: Progress, Challenges, and Perspectives

Kharlamova

Kramberger

2021

Nanomaterials

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Single-walled carbon nanotubes (SWCNTs), which possess electrical and thermal conductivity, mechanical strength, and flexibility, and are ultra-light weight, are an outstanding material for applications in nanoelectronics, photovoltaics, thermoelectric power generation, light emission, electrochemical energy storage, catalysis, sensors, spintronics, magnetic recording, and biomedicine. Applications of SWCNTs require nanotube samples with precisely controlled and customized electronic properties. The filling of SWCNTs is a promising approach in the fine-tuning of their electronic properties because a large variety of substances with appropriate physical and chemical properties can be introduced inside SWCNTs. The encapsulation of electron donor or acceptor substances inside SWCNTs opens the way for the Fermi-level engineering of SWCNTs for specific applications. This paper reviews the recent progress in applications of filled SWCNTs and highlights challenges that exist in the field.

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First-Principles Study of Electronic and Magnetic Properties of 3d Transition Metal-Filled Single-Walled Carbon Nanotubes

Cited by 7 publications

References 18 publications

A computational study on the effect of local curvature on the adsorption of oxygen on single-walled carbon nanotubes

A computational study on the effect of local curvature on the adsorption of oxygen on single-walled carbon nanotubes

Metallocene-Filled Single-Walled Carbon Nanotube Hybrids

Applications of Filled Single-Walled Carbon Nanotubes: Progress, Challenges, and Perspectives

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