Electronic structure and magnetic properties of graphite intercalated with 3<i>d</i>-metals

Grechnev, G. E.; Lyogenkaya, A. A.; Kolesnichenko, Yu. A.; Prylutskyy, Yu. І.; Hayn, R.

doi:10.1063/1.4876224

Cited by 9 publications

(9 citation statements)

References 16 publications

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“…Substitution of transition-metal (TM) atoms is an efficient way to induce magnetism in nonmagnetic nanomaterials and has been confirmed both in experiments 17,18 and in theories. [19][20][21] For example, in theories, the substituted V, Cr, Mn, Co, Cu, and Zn atoms in graphene are stable, and give rise to a remarkable magnetic moment; 22 in the MoS 2 sheet, Mn, Fe, Co, Ni, Cu, and Zn impurity can induce magnetism and the magnetism strength can be effectively manipulated by the applied elastic strain. 21 In experiments, one of the most typical examples is the realization of the Kondo effect in graphene induced by magnetic impurities.…”

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confidence: 99%

Induce magnetism into silicene by embedding transition-metal atoms

Sun

Wang

Lin

et al. 2015

Applied Physics Letters

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Magnetic anisotropy in the boron nitride monolayer doped by 3d transitional metal substitutes at boron-site J. Appl. Phys. 113, 17C304 (2013); 10.1063/1.4798478 On the transition-metal doping efficiency of zinc oxide nanocrystals Appl. Phys. Lett. 97, 073120 (2010); 10.1063/1.3478216 Magnetism of ZnO nanoparticles doped with 3 d cations prepared by a solvothermal methodAdsorption of transition-metal atoms on boron nitride nanotube: A density-functional study

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mentioning

confidence: 99%

Induce magnetism into silicene by embedding transition-metal atoms

Sun

Wang

Lin

et al. 2015

Applied Physics Letters

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“…What is more, the chemical or physical modification of multi-walled nanosystems enables to reveal their new extraordinary features. Thus, intercalation with atoms (molecules) allows to change the Fermi level position, relative electron and hole concentration, without considerable changes in energy-band structure of source nanomaterials [ 10 – 12 ].…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic Complexing of Monocyclopentadienylferrum (II) Intercalates with Double-Walled Carbon Nanotubes

Mykhailenko¹,

Prylutskyy²,

Komarov³

et al. 2016

Nanoscale Res Lett

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By employing the methods of molecular mechanics, semi-empirical quantum-chemical РМ3 and Monte-Carlo, the positioning of monocyclopentadienylferrum (II) molecules in double-walled (5,5)@(10,10) carbon nanotubes (CNT) depending on their concentration and temperature has been studied. The molecules have been found out to form stable bonds with CNT walls, with a tendency between intercalate stability and the CNT structure. The temperature growth (over ~500 K) causes gradual bond ruining followed by extrusion of interwall intercalate. Further temperature increase up to 600–700 K is characterised with intercalate external surface desorption, stabilising the whole system and keeping the interwall intercalate only. The CNT’s UV-spectrum (5,5)@(10,10) depending on the intercalate concentration and association constant of the “double-walled CNT–intercalate” system have been calculated. A combination of unique optical, electrical and magnetic behaviour of cyclopentadienyl complexes with their ability to form high-stable intercalate with CNT opens a prospect of their applying in nanotechnology.

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“…What is more, the chemical or physical modification of multi‐walled nanosystems enables to reveal their new extraordinary features. Thus, intercalation with atoms (molecules) allows to change the Fermi level position, relative electron and hole concentration, without considerable changes in energy‐band structure of source nanomaterials .…”

Section: Introductionmentioning

confidence: 99%

“…On the other hand, the unique optical, electrical and magnetic, and also biological behaviour of cyclopentadienyl complexes stimulate the synthesis of intercalates with multi‐walled carbon nanotubes, because the ability of these complexes to coordinate with multi‐walled carbon nanotubes allows to obtain new materials as effective elements for photo‐ and magnetosensitive devices, drug delivery, imaging and therapy, as well to use these materials as an antidetonant in motor and aviation fuels .…”

Section: Introductionmentioning

confidence: 99%

“Guest‐host” intercalate of double‐walled carbon nanotube with tricarbonyl (cyclopentadienyl)manganese

Mykhailenko

Prylutskyy

Komarov

et al. 2016

Materialwissenschaft Werkst

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The positioning of tricarbonyl(cyclopentadienyl)manganese molecules in double‐walled (5.5)@(10.10) carbon nanotubes depending on their concentration and temperature was studied using the methods of molecular dynamics, semi‐empirical quantum‐chemical parameterized model number 3 and Monte‐Carlo. The molecules were found to form stable bonds with the carbon nanotubes walls, with a tendency between intercalate stability and the carbon nanotubes structure. A temperature increase (above ˜460 K) causes gradual bond ruining followed by extrusion of interwall intercalate. Further temperature increase up to 600–750 K is characterised with intercalate external surface desorption, stabilising the whole system and keeping the interwall intercalate only. Double‐walled carbon nanotubes UV‐spectra depending on the intercalate concentration and association constant of the “double‐walled carbon nanotubes‐intercalate” system were calculated. A combination of unique optical, electrical and magnetic behaviour of cyclopentadienyl complexes with their ability to form high‐stable intercalate with carbon nanotubes opens a prospect of their application in nanotechnology.

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Electronic structure and magnetic properties of graphite intercalated with 3d-metals

Cited by 9 publications

References 16 publications

Induce magnetism into silicene by embedding transition-metal atoms

Induce magnetism into silicene by embedding transition-metal atoms

Thermodynamic Complexing of Monocyclopentadienylferrum (II) Intercalates with Double-Walled Carbon Nanotubes

“Guest‐host” intercalate of double‐walled carbon nanotube with tricarbonyl (cyclopentadienyl)manganese

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