Numerical Simulation of Interaction between Kr+ Ion and Rotating C60 Fullerene towards for Nanoarchitectonics of Fullerene Materials

Lun-Fu, Aleksandr V.; Бубенчиков, А. М.; Bubenchikov, M. A.; Ovchinnikov, V. V.

doi:10.3390/cryst11101204

Cited by 7 publications

(6 citation statements)

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“…The interaction potential between a carbon atom of the central C 60 and a smoothed spherical fullerene has the following form [33,34,40,41]…”

Section: Mathematical Statement Of the Problemmentioning

confidence: 99%

“…The Euler dynamic equations are used to describe the rotational motion of the central fullerene molecule around its center of mass [33,34]:…”

Section: Mathematical Statement Of the Problemmentioning

confidence: 99%

“…In this article, we study the effect of the simplest deformation of a fullerite crystalline fragment on the dynamic characteristics of the C 60 molecule using the methods of classical mechanics [33][34][35][36][37]. A computational analysis of the behavior of the fullerene molecule depending on the speed, direction, and magnitude of the indentation deformation has been carried out.…”

Section: Introductionmentioning

confidence: 99%

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Computational Analysis of Strain-Induced Effects on the Dynamic Properties of C60 in Fullerite

et al. 2022

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A hybrid discrete-continuous physical and mathematical model is used to study what deformation characteristics cause the rolling effect of C60 fullerene in a fullerite crystal. The interaction of fullerene atoms with surrounding molecules is described using a centrally symmetric interaction potential, in which the surrounding molecules are considered as a spherical surface of uniformly distributed carbon atoms. The rotational motion of fullerene is described by the Euler dynamic equations. The results of a numerical study of the influence of the rate, magnitude, and direction of strain on the dynamic characteristics of the rotational and translational motion of C60 fullerene in a crystalline fragment are presented.

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“…The interaction potential between a carbon atom of the central C 60 and a smoothed spherical fullerene has the following form [33,34,40,41]…”

Section: Mathematical Statement Of the Problemmentioning

confidence: 99%

“…The Euler dynamic equations are used to describe the rotational motion of the central fullerene molecule around its center of mass [33,34]:…”

Section: Mathematical Statement Of the Problemmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Computational Analysis of Strain-Induced Effects on the Dynamic Properties of C60 in Fullerite

et al. 2022

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“…The research papers that claim to be nanoarchitectonics are as follows. The application of nanoarchitectonics can be seen in basic fields, such as the synthesis of functional materials [ 204 , 205 , 206 , 207 , 208 , 209 , 210 , 211 , 212 , 213 , 214 , 215 , 216 , 217 , 218 , 219 ], the control of specific structures [ 220 , 221 , 222 , 223 , 224 , 225 , 226 , 227 , 228 , 229 , 230 ], the creation of structures [ 231 , 232 , 233 , 234 , 235 , 236 , 237 , 238 , 239 , 240 ], basic physics [ 241 , 242 , 243 , 244 , 245 , 246 , 247 , 248 , 249 , 250 , 251 , 252 ], relatively basic biochemistry [ 253 , 254 ,…”

Section: Introductionmentioning

confidence: 99%

Materials Nanoarchitectonics at Dynamic Interfaces: Structure Formation and Functional Manipulation

Ariga

2024

Materials

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The next step in nanotechnology is to establish a methodology to assemble new functional materials based on the knowledge of nanotechnology. This task is undertaken by nanoarchitectonics. In nanoarchitectonics, we architect functional material systems from nanounits such as atoms, molecules, and nanomaterials. In terms of the hierarchy of the structure and the harmonization of the function, the material created by nanoarchitectonics has similar characteristics to the organization of the functional structure in biosystems. Looking at actual biofunctional systems, dynamic properties and interfacial environments are key. In other words, nanoarchitectonics at dynamic interfaces is important for the production of bio-like highly functional materials systems. In this review paper, nanoarchitectonics at dynamic interfaces will be discussed, looking at recent typical examples. In particular, the basic topics of “molecular manipulation, arrangement, and assembly” and “material production” will be discussed in the first two sections. Then, in the following section, “fullerene assembly: from zero-dimensional unit to advanced materials”, we will discuss how various functional structures can be created from the very basic nanounit, the fullerene. The above examples demonstrate the versatile possibilities of architectonics at dynamic interfaces. In the last section, these tendencies will be summarized, and future directions will be discussed.

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“…Therefore, it can be expected that polymer materials doped with carbon nanoparticles will find application in medicine and biology as drugs, antimicrobial agents [16,17], and inhibitors (catalysts) of enzymatic processes. An important area of application of fullerene composites in a polymer matrix is the development of biological sensors [18][19][20] and bacterial biosensors [16,21,22] based on the electrically conductive and corrosive properties of fullerenes [23,24].…”

Section: Introductionmentioning

confidence: 99%

Novel Biocompatible with Animal Cells Composite Material Based on Organosilicon Polymers and Fullerenes with Light-Induced Bacteriostatic Properties

et al. 2021

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A technology for producing a nanocomposite based on the borsiloxane polymer and chemically unmodified fullerenes has been developed. Nanocomposites containing 0.001, 0.01, and 0.1 wt% fullerene molecules have been created. It has been shown that the nanocomposite with any content of fullerene molecules did not lose the main rheological properties of borsiloxane and is capable of structural self-healing. The resulting nanomaterial is capable of generating reactive oxygen species (ROS) such as hydrogen peroxide and hydroxyl radicals in light. The rate of ROS generation increases with an increase in the concentration of fullerene molecules. In the absence of light, the nanocomposite exhibits antioxidant properties. The severity of antioxidant properties is also associated with the concentration of fullerene molecules in the polymer. It has been shown that the nanocomposite upon exposure to visible light leads to the formation of long-lived reactive protein species, and is also the reason for the appearance of such a key biomarker of oxidative stress as 8-oxoguanine in DNA. The intensity of the process increases with an increase in the concentration of fullerene molecules. In the dark, the polymer exhibits weak protective properties. It was found that under the action of light, the nanocomposite exhibits significant bacteriostatic properties, and the severity of these properties depends on the concentration of fullerene molecules. Moreover, it was found that bacterial cells adhere to the surfaces of the nanocomposite, and the nanocomposite can detach bacterial cells not only from the surfaces, but also from wetted substrates. The ability to capture bacterial cells is primarily associated with the properties of the polymer; they are weakly affected by both visible light and fullerene molecules. The nanocomposite is non-toxic to eukaryotic cells, the surface of the nanocomposite is suitable for eukaryotic cells for colonization. Due to the combination of self-healing properties, low cytotoxicity, and the presence of bacteriostatic properties, the nanocomposite can be used as a reusable dry disinfectant, as well as a material used in prosthetics.

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Numerical Simulation of Interaction between Kr+ Ion and Rotating C60 Fullerene towards for Nanoarchitectonics of Fullerene Materials

Cited by 7 publications

References 51 publications

Computational Analysis of Strain-Induced Effects on the Dynamic Properties of C60 in Fullerite

Computational Analysis of Strain-Induced Effects on the Dynamic Properties of C60 in Fullerite

Materials Nanoarchitectonics at Dynamic Interfaces: Structure Formation and Functional Manipulation

Novel Biocompatible with Animal Cells Composite Material Based on Organosilicon Polymers and Fullerenes with Light-Induced Bacteriostatic Properties

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