Technological Institute of Superhard and Novel Carbon Materials

Troitsk, Russia

Technological Institute of Superhard and Novel Carbon Materials

Troitsk, Russia
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Chernozatonskii L.A.,RAS Emanuel Institute of Biochemical Physics | Sorokin P.B.,RAS Emanuel Institute of Biochemical Physics | Kuzubov A.A.,Siberian Federal University | Sorokin B.P.,Technological Institute of Superhard and NoVel Carbon Materials | And 4 more authors.
Journal of Physical Chemistry C | Year: 2011

The atomic structure and physical properties of few-layered 〈111〉 oriented diamond nanocrystals (diamanes), covered by hydrogen atoms from both sides, are studied using electronic band structure calculations. It was shown that energy stability linearly increases upon increasing of the thickness of proposed structures. All 2D carbon films display direct dielectric band gaps with nonlinear quantum confinement response upon the thickness. Elastic properties of diamanes reveal complex dependence upon increasing of the number of 〈111〉 layers. All theoretical results were compared with available experimental data. © 2010 American Chemical Society.


Sorokin P.B.,Rice University | Lee H.,Rice University | Antipina L.Y.,Technological Institute of Superhard and Novel Carbon Materials | Singh A.K.,Rice University | And 2 more authors.
Nano Letters | Year: 2011

Among the carbon allotropes, carbyne chains appear outstandingly accessible for sorption and very light. Hydrogen adsorption on calcium-decorated carbyne chain was studied using ab initio density functional calculations. The estimation of surface area of carbyne gives the value four times larger than that of graphene, which makes carbyne attractive as a storage scaffold medium. Furthermore, calculations show that a Ca-decorated carbyne can adsorb up to 6 H2 molecules per Ca atom with a binding energy of ∼0.2 eV, desirable for reversible storage, and the hydrogen storage capacity can exceed ∼8 wt %. Unlike recently reported transition metal-decorated carbon nanostructures, which suffer from the metal clustering diminishing the storage capacity, the clustering of Ca atoms on carbyne is energetically unfavorable. Thermodynamics of adsorption of H2 molecules on the Ca atom was also investigated using equilibrium grand partition function. © 2011 American Chemical Society.


Antipina L.Y.,Technological Institute of Superhard and Novel Carbon Materials | Avramov P.V.,Japan Atomic Energy Agency | Sakai S.,Japan Atomic Energy Agency | Naramoto H.,Japan Atomic Energy Agency | And 4 more authors.
Physical Review B - Condensed Matter and Materials Physics | Year: 2012

The graphane with chemically bonded alkali metals (Li, Na, K) was considered as potential material for hydrogen storage. The ab initio calculations show that such material can adsorb as many as four hydrogen molecules per Li, Na, and K metal atom. These values correspond to 12.20, 10.33, and 8.56 wt% of hydrogen, respectively, and exceed the DOE requirements. The thermodynamic analysis shows that Li-graphane complex is the most promising for hydrogen storage with ability to adsorb three hydrogen molecules per metal atom at 300 K and pressure in the range of 5-250 atm. © 2012 American Physical Society.


The processes of the accumulation and dissipation of electron flows in polarizable plasma structures with spatially distributed electric charges are investigated. It is proved that a slight violation of neutrality (about 10 -18) because of forcing the electrons out of the structures leads to sputtering (bouncing) of neutral structures that were gravitating before. As the de Broglie wavelength of an electron is many times greater than that of a nucleon or atomic nucleus at equal temperatures, in the case of condensation of matter into quantum structures (in which there occurs degeneration of the sharing electron gas), there should happen the violation of neutrality and the generation of giant peripheral electric fields that self-focus the plasmoid thus being a dynamic surface tension. Electric fields are effective catalysts of thermonuclear reactions leading to neutronization of the substance compressed by gravitation. Einstein's idea concerning mass-energy equivalence is confirmed in a new form. The equivalence manifests itself in a similar functionality in the process of the pulsation (focusing and rebounding) of "excessive" energy in the generalized Kepler 2D-problem (for the gravitational and the electric potential) and the "excessive" mass in the Vysikaylo-Chandrasekhar 3D problem concerning the accumulation and dissipation of the de Broglie waves in quantum stars (pulsating accretion of quantum stars) with a mass greater than that of Chandrasekhar (~1.46 masses of the sun). A new mechanism (type) of a thermonuclear reactor at the surface of charged quantum stars and dense cores of ordinary stars and planets is proposed by the author. The acceleration of electrons to MeV energies in the synergistic electric fields of uncompensated for charged particles in the nuclei of giant plasmoids-quantum stars-and their transmutation into the neutrons on the surface layer in the reactions with the protons is the basis for such a mechanism. In the presence of dynamic surface tension caused by the Coulomb forces the cumulation of plasma and energy takes place during the compressing electric field jumps. © 2012 Allerton Press, Inc.


Vysikaylo P.I.,Technological Institute of Superhard and Novel Carbon Materials
Surface Engineering and Applied Electrochemistry | Year: 2012

There is proposed a formulation of the fundamentals of cumulative quantum mechanics (CQM) that allows one to describe the resonance cos-waves with the ψ n function of an electron (ψ n(r) ~ cos(k nr)/r k) unlimited (with k ≠ 0) in the resonator center in hollow quantum resonators with any type of symmetry (plane-k = 0, spherical-k = 1, and cylindrical-k = 0. 5). Irregular in the center of a resonator, the cos solutions are regularized in the resonator center by the geometric normalization coefficient corresponding to the symmetry type and being χ(r) = 2 kπ 1/2r k at k ≠ 0 (if k = 0, then χ = 1). The stratification of the probability of finding the particle in the quantum resonator volume is similarly determined by the energy of a particle or a full set of squares of the corresponding quantum numbers ((n - 1/2) 2 for cos-waves and n 2 for sin-waves) for any type of the resonator symmetry. An analytical CQM model of the polarization resonance electron capture (dynamic localization due to the self-formation of a potential barrier cumulating this electron into a molecule) is proposed. When there occurs the polarization capture of an electron by the allotropic hollow forms of carbon (fullerenes and nanotubes), the electron energy E n > 0. The problem on the Vysikaylo polarization effect of the first type (or the problem on polarization cumulation of the de Broglie waves of electrons with characteristic dimension of ~ 1 nm) is reduced to the problem of G. A. Gamov: "a quantum particle in a box with a potential barrier on its boundary." The energy spectrum of states localized by the barrier, E n > 0 (a metastable IQ particle is a partially open quantum dot, line, or pit), as in the case of E n <0 (a stable FQ particle is a closed quantum dot, line, or pit) is determined by the effective internal dimensions of a box (R + r ind) with the polarization forces effectively acting at a distance r ind from the polarizable molecule. The CQM allows one to describe with E n > 0 both the limited cumulation of ψn(r)-functions for de Broglie-Fresnel generalized interference and the unlimited cumulation of ψn(r)-functions to the center of a quantum resonator with Vysikaylo-de Broglie-Fraunhofer generalized interference in hollow polarizable spherically or cylindrically symmetric quantum resonators for de Broglie electron waves. In the framework of the CQM, there have been analytically calculated the eigen quantum pairs: ψ n(r)-functions, respectively stratified profiles of the probability of a particle's location in the resonator cavity, W n(r) and E n > 0, the eigen energies of the electrons localized in the quantum resonator (C 60 and C 70, etc.) by polarization forces. It is proved that, alongside with the classical energy spectrum for asymmetric ψ n-functions (sin-waves) with E n ~ n 2 for hollow quantum resonators, there exist quantum resonances for symmetric ψ n-functions (cos-waves) with E n ~ (n - 1/2) 2, which can be realized in the experiments. © 2012 Allerton Press, Inc.


Vysikaylo P.I.,Technological Institute of Superhard and Novel Carbon Materials
Surface Engineering and Applied Electrochemistry | Year: 2012

The processes of physical doping of nanostructured (meta-) materials have been investigated. Two types of interference and diffraction (in the center) in hollow quantum resonators for the de Broglie waves of electrons and two types of the Vysikaylo quantum-size effects due to the polarization capture of electrons in the cavity of quantum resonators are described on the basis of the cumulative quantum mechanics (CQM) formulated by the author. The first type of interference and, accordingly, diffraction in the resonator center corresponds to de Broglie-Fresnel interference (sin-wave with a node in the resonator center). This type is used to describe the localization (cumulation) of electrons in the atom quantum resonator with an atomic nucleus in the center. The second type of interference and, accordingly, diffraction is called Vysikaylo-de Broglie-Fraunhofer interference (diffraction with the antinode of the electron de Broglie wave in the center of a hollow resonator), wherein the Ψn-functions of the electron infinitely cumulate (are focused by a polarization "mirror") towards the center of a hollow quantum spherically or cylindrically symmetric resonator (Ψn(r) ~ cos(knr)/rk). It is shown that the cos-solutions, irregular in the resonator center, are regularized for any wave phenomena by the geometric coefficient. It is proved in the framework of CQM that, alongside with the classical energy spectrum for asymmetric Ψn-functions (sin waves (overtones)) with En ~ n2, for hollow quantum resonators, there exist and are realized in experiments the quantum resonances for symmetric Ψn-functions (cos waves (the principal tone)) with En ~ (n - 1/2)2. The spectrum of energy states, localized by a barrier, with En > 0 (a metastable IQ-particle (a partially open quantum dot, line, or well)), as in the case of En < 0 (a stable FQ-particle (a close dot, line, or well)), is determined by the effective internal sizes of the box (R + rind) with polarization forces effectively acting at the distance of rind from the molecule. The comparison of the analytical results with the experimental observations proves convincingly the validity of the CQM application in describing the quantum-size effects in the case of physical doping of metamaterials. It has been demonstrated for the first time that, in nanocomposite materials, the pair of "eigenfunction Ψn-self-energy En" comprising the quantum state in the nanoworld noted by the basic quantum number n and in the mesoworld of nanocomposites by physically doped by traps is replaced by two nanoworld parameters: the nanocrystal diameter D and the relative resonance concentration of the modifier (a trap, such as C60, 70) ζn. The self-assembly of hollow allotropic forms of carbon on resonant electrons is discussed. © 2012 Allerton Press, Inc.


Einstein's idea concerning the mass-energy equivalence is confirmed in a new form. The equivalence manifests itself in similar functionality in the processes of the pulsations (focusing and rebounding) of the "excessive" energy in the generalized Kepler 2D problem and the "excessive" mass in the Vysikaylo-Chandrasekhar 3D problem on the accumulation and dissipation of the de Broglie waves in quantum stars (the pulsing accretion of quantum stars) with mass more than that of Chandrasekhar (~1.46 masses of the sun). A new mechanism (type) of a thermonuclear reactor at the surface of charged quantum stars and dense cores of normal stars and planets is proposed. The acceleration of electrons to MeV energies in the synergistic electric fields of uncompensated charged particles in the nuclei of giant plasmoids-quantum stars-and their transmutation into neutrons in the surface layer in the reactions with protons is the basis for such a mechanism. The problems concerning the stabilization of neutrons in relation to the β-disintegration of the neutrons on the surface of neutron stars and the keeping of high energy electrons in any CD structures with condensed media with a Fermi gas or a Fermi liquid have been solved. © 2012 Allerton Press, Inc.


Vysikaylo P.I.,Technological Institute of Superhard and Novel Carbon Materials
Surface Engineering and Applied Electrochemistry | Year: 2011

The values of the cathode drop (CD) are estimated in nanosecond discharges with a slot cathode in argon plasma to view the total number of strata in the discharge gap (n ∼ 10), and the dependence of the CD on the discharge parameters is studied. In the experiments, the structurization of a nanosecond discharge with a hollow cathode (stratum) in argon is analytically simulated by the author. It is proved that the strata in nanosecond discharges are caused by the drift of electrons and the direct ionization by the electron impact, thus, being ionization-drift waves. The drift removal of electrons leads to the formation of positively charged layers of the space charge, a significant increase of the role of the peripheral ionization, and the cumulation of electrons in the plasma focuses (similar to the Lagrange libration points discovered by Euler in 1769). © 2011 Allerton Press, Inc.


Vysikaylo P.I.,Technological Institute of Superhard and Novel Carbon Materials
Surface Engineering and Applied Electrochemistry | Year: 2010

The possibility to harden composite materials through producing space charge layers on their surface is considered for the first time. Fullerenes, nanotubes, and other nanostructures with a large electron affinity may be used as the trapping sites for free electrons generating the negative charged layer of the space charge on the hardenable material surface. These nanostructures (modifiers) with a large electron affinity attach the free electrons and thus charge the modifiable material with a positive charge. As the analytical calculations show, the dozens of times modification of the strength characteristics of the composite materials by the space charge layers is possible. The analytical calculations of the resonance bulk percentage of the modifier with the characteristic dimensions of the nanocrystals and the modifier itself being known, have been carried out. According to the analytical calculations, the hardening by molecules of C60 up to 104 GPa of crystals of copper and other materials with free electrons can be expected. © 2010 Allerton Press, Inc.


There has been performed an analysis of the 3D architecture of the accumulation and dissipation of energy-mass-momentum flows in plasma +CDS under the external action of a long-range electric field. The following cases are considered in this work: (1) the interaction between external electric fields and quasistationary positively charged plasmoids (plasma +CDS), in which some cumulative jets of high-energy electrons are formed due to the cumulation of electrons; (2) the clustering of single plasmoids into regular systems-dissipative "crystals"; and (3) the synergetic effects caused by the coalescence of +CDS. © 2013 Allerton Press, Inc.

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