Effect of Pressure on the Structure and Lattice Dynamics of Fullerene Crystal C60

Prilutski, Yu. I.; Shapovalov, G.G.

doi:10.1002/1521-3951(199706)201:2<361::aid-pssb361>3.0.co;2-2

Cited by 17 publications

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“…The limiting intermolecular spectrum of hydrated microcrystal C 60 is represented in table 2. As we can see the calculated vibrational frequencies lie lower the fundamental modes for solid C 60 [18].…”

Section: Study Of Vibrational Spectrum Of Fullerene Aggregates C 60 Isupporting

confidence: 65%

“…The numerical calculations were carried out in the approximation of a Lennard-Jones (12−6) atom-atom potential only (the entropy factor did not consider because an assumption was made that the formation of orientationally ordered structures in water takes place [12]) using the proposed molecular dynamics model for a fullerene crystal C 60 [18].…”

Section: Study Of Vibrational Spectrum Of Fullerene Aggregates C 60 Imentioning

confidence: 62%

“…1) The vibrational spectra of possible fullerene aggregates C 60 in water (clusters (I h symmetry group) and microcrystals (T h symmetry group)) are calculated using the molecular dynamics approach [18]. The obtained theoretical results can be useful for the further optical experiments;…”

Section: Resultsmentioning

confidence: 99%

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Electronic and optical properties of fullerene nanostructures

Prilutski

Durov

1999

Phys. Solid State

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Two new types of molecular/electronic fullerene nanostructures are considered: 1) highly stable hydrated clusters (I h symmetry group) and microcrystals (T h symmetry group) of fullerene C 60 in water solution and 2) the single-walled carbon nanotube from C 60 fullerenes. The vibrational spectra of these fullerene nanostructures are calculated using the molecular dynamics approach. The electronic properties of a single-walled fullerene nanotube are investigated using the tight-binding method. The obtained theoretical results were compared with available experimental data.Fullerenes are widely investigated currently and have potential for various technical applications [1]. In particular, for biomedical testing, water-soluble forms of fullerenes are undoubtedly of great interest. Poor solubility in water of fullerenes and their derivatives limits biological and medical studies, even though there were reports on successfully prepared micro-and macro-colloidal particle solutions in organic solvents or in water [2][3][4][5][6][7]. In particular, G.V. Andrievsky with collaborators [5][6][7] has recently proposed a method for obtaining molecular-colloidal dispersions of fullerenes in water without any stabilizers and this resulted in the generation of solutions with fullerene aggregate sizes from several nanometers to 200 nm. These aggregates have been consisted of more small spherical particles with diameter approximately 2−3 nm containing 4−13 molecules of C 60 [6]. The fullerene water solutions (FWS), being molecular-colloidal systems, were found to be stable for more than 12 months at ambient conditions. At present time, the highest concentration of C 60 achieved in the FWS is ∼ 1.4 g/l [5][6][7]. It should be noted that the formation of similar fullerene C 60 structures in different organic solvents was not observed [2][3][4] showing an important influence of water on their formation and existence [5][6][7].The discovery of single-walled carbon nanotubes [8,9] have provided the opportunity to study their mechanical, optical and electronic properties [10,11]. Specifically, their electronic characteristics are predicted to vary depending upon the nanotube symmetry and diameter, thus giving either metallic or semiconducting behaviour [1]. It is very important for the creation of novel materials for nanoengineering.The geometric structure of possible fullerene aggregates in water was studied in detail in paper [12]. The present paper is devoted to the calculation of the vibrational spectrum of fullerene aggregates in water solution and the structure of a single-walled fullerene nanotube (SWFN), as well as its electronic and optical properties. The obtained theoretical results were compared with available experimental data [13-15]. Study of Vibrational Spectrum of Fullerene Aggregates C 60 in WaterUsing the atom-atom potential method, the dense-packing and symmetry principles we have calculated the structure of fullerene aggregates C 60 in water solution [12]. The main results obtained were as follows: a) the spherica...

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Section: Study Of Vibrational Spectrum Of Fullerene Aggregates C 60 Isupporting

confidence: 65%

Section: Study Of Vibrational Spectrum Of Fullerene Aggregates C 60 Imentioning

confidence: 62%

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Electronic and optical properties of fullerene nanostructures

Prilutski

Durov

1999

Phys. Solid State

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“…In particular, such molecules as benzene, xylene, toluene, CCl 4 et al easily penetrate into the interplanar gaps, forming tight solvate complexes, the destruction of which occurs only when fullerite is heated up to 400–500 K . It has been found that at high temperatures and pressures fullerite solvated by organic substances can be transformed into compound, having higher hardness than diamond .…”

Section: Introductionmentioning

confidence: 99%

Clustering of hydrochloric acid on the surface of C₆₀/C₇₀ fullerite and its composites with nanosilica

Туров

Prylutskyy

Кrupskaya

et al. 2016

Materialwissenschaft Werkst

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The formation of cluster structures on the surface of fullerite C 60 /C 70 and its composites with nanosilica (A-300, AM1-300 and A-300+AM1-300) with hydrochloric acid in a hydrophobic environment was studied by means of low-temperature 1 H NMR spectroscopy. It was established that the surface of fullerite crystals can separate hydrochloric acid solution into its components, and in the environment of weakly polar organic solvent, CDCl 3 , the substantial fraction of water exists in a weakly associated state. It was shown that the composite nanosystems made of fullerite and silica (A-300, AM1-300 and their 1 : 1 mixture), the adsorption of hydrochloric acid predominantly occurs on a silica part of the composite. Addition of dimethyl sulfoxide to the medium results in formation of several types of clusters on the surface, which include water molecules, hydrogen chloride and dimethyl sulfoxide, wherein less associated forms are localized predominantly on the surface of the fullerite (their number is maximal for the combined (A-300 + AM1-300)/C 60 composites). Therefore the features of the cluster structures and their site of localization in the volume of the solid phase can be controlled by varying the content of the composite nanosystem.

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Theoretical predictions and experimental studies of self-organized C60 nanoparticles in water solution and on the support

Prilutski

Durov

Yashchuk

et al. 1999

The European Physical Journal D

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Effect of Pressure on the Structure and Lattice Dynamics of Fullerene Crystal C60

Cited by 17 publications

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Electronic and optical properties of fullerene nanostructures

Electronic and optical properties of fullerene nanostructures

Clustering of hydrochloric acid on the surface of C₆₀/C₇₀ fullerite and its composites with nanosilica

Theoretical predictions and experimental studies of self-organized C60 nanoparticles in water solution and on the support

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Effect of Pressure on the Structure and Lattice Dynamics of Fullerene Crystal C60

Cited by 17 publications

References 0 publications

Electronic and optical properties of fullerene nanostructures

Electronic and optical properties of fullerene nanostructures

Clustering of hydrochloric acid on the surface of C60/C70 fullerite and its composites with nanosilica

Theoretical predictions and experimental studies of self-organized C60 nanoparticles in water solution and on the support

Contact Info

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Clustering of hydrochloric acid on the surface of C₆₀/C₇₀ fullerite and its composites with nanosilica