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Volgograd State University - The comprehensive research of morphology, physical and chemical properties of composite nanostructure materials

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Date of filling in 05.12.2007
Organization name Volgograd State University
Organization adress 400062, Russia,Volgograg, Universitetskii prospect, 100
Department/Unit Physical facultate, department of Physical materialscience
Contact person Zaporotskova Irina, DSc, Professor
Phone +7-8442-460811
Fax +7-8442-460279
E-Mail irinaz@rbcmail.ru
Web-site http://www.volsu.ru
Organization type
  • Research
  • Education
Special Programme
Theme
Nanosciences, nanotechnologies, materials and new production technologies (NMP)
Call identifier
Topic number The comprehensive research of morphology, physical and chemical properties of composite nanostructure materials
Call Deadline -
Short description of the organization (max 12 lines): -
Expertise offered Further investigation is aimed at solving a fundamental problem of quantum chemistry and material science of nanostructures connected with the research of structural and basic physical and chemical properties of composite nanomaterials, investigating mechanisms of interaction of inhomogenuous atomic structures, mechanisms of formation of quantum superstructures and the elaboration of unified classification of composite nanomaterials, called to systematise research of their physical and chemical properties. Nowadays many expectations in the development of technology in various areas are connected with the creation of composite structures on the nanotubulene basis. So, nanotubes are supposed to be used for incapsulation of radioactive waste, as tanks for storage of hydrogen, manufacturing elements for nano-sized electronic circuits. At the same time the range of objects considered as composites with nanostructure is rather approximate and includes rather inhomogenuous materials containing nanotubulenes as one of their components. It is necessary to note, that the detailed study of composite structures properties on the basis of nanostructure materials of various structure is only beginning. It is supposed to carry out theoretical developments of electronic structure and geometrical characteristics of the basic condition of interacting heteroatomic structures, adsorption of various atoms and molecules on nanostructure surface and nanopolimer with use of modern methods of quantum chemistry and chemical thermodynamics. The suggested methods of quantum chemistry within the framework of semiempirical and non empirical variations of Hartry-Fork method meet to the world standard. For modeling geometrical structures of fullerenes, nanotubes and nanopolymer films cluster models of firm bodies, which also include the model of molecular cluster and the original ion-built -covalent-cyclic cluster [Litinskij А.О., Lebedev N.G., Zaporotskova I.V. // Magazine of physical chemistry 69, № 1, 215 (1995)] will be used.
Problems to be solved and results: Further steps can be taken in the following directions: the construction of adsorption models for light atoms and simple gasphased molecules with carbon and non- carbon nanotube surfaces, polymeric nanofilms such as pyrolized polyacrilonitrile, fullerenes, and also research of possible ways of saturation of cavities in nanotubulene systems by various atoms and molecules. Research is directed at revealing common regularities of the specified interactions, which will allow to define properties possessed by the whole class of gasphased composite nanomaterials. Certain attention will be given to the study of mechanisms of formation of nanotube and nanopolymeric structures modified and intercalated by atoms of metals, as well as to the research of emission properties of the latter. The revealing of common characteristics of these processes is expected, that will allow to systematize the class of metal-phased composites on the basis of nanomaterials of a various structure. The theoretical computations of characteristic conductivity of single-walled and multi-walled carbon and non-organic nanotubes with various rate of hirality will allow to carry out research in thermal dependence of the latter and predict an occurrence of superconductivity in multi-walled nanotubes. Research of proton conductivity of nanopolymer materials will allow to explain available experimental data on conductivity properties of pyrolytic PAN, which hasn’t been explained so far. Research in morphology and properties of nanomaterials, containing defects of a various sort (topological, rehybridised etc.) for revealing their common characteristics, physical and chemical properties, and probable spheres of application is planned. The special attention will be given to problems of application structurally - modified nanocomposites in nanoelectronics, in particular for creation of cold cathodes. The essential attention will be given to probable boundary functions of carbon nanotubes and research of influence of the latter on processes of capillary filling of nanotubulenes by various atoms and molecules. The opportunity to utilize modified nanotubes as cantilever of the atom-powered microscope for the analysis of surfaces both with the purpose of revealing nanocracks and defects, and with the purpose of definition of its chemical structure and condition will be investigated. The construction of models of carbon and not carbon nanotube formation on various precursors is provided, and also the research of influence of various catalysts (atoms, quantum points etc.), that will allow to make recommendations for the development of technological methods of nanotube synthesis of the desirable diameter. The essential attention will be given to research of interaction carbon nanotube of a small diameter with inhibitors of protein synthesis called cycloheximide, which blocks the active centres of the brain which are responsible for development and preservation of memory in biological systems. This will allow to study probable mechanisms of restoration of long-term spatial memory. This research is extremely important for treating Altsheimer’s, Parkinson’s diseases, unmotivated memory loss, negative effects of the brain injury etc. Such research hasn’t been conducted in the world. The interactions of nanotubes with organic molecules will be investigated. One of most claimed directions of development of electronics is the research of an opportunity of creation of cold cathodes of electrovacuum microwave devices, mainly for space application. It is possible to assume opportunities of forming a film with nanotubes oriented perpendicularly to its surface in a firm matrix from Fe2O3. If the magnetic liquid is evaporated in magnetic field a film with anyzotropia of magnetic permeability will be formed. It gives to a film the property of a polarizor of electromagnetic waves of a microwave range. The objective of theoretical research will be to find out, whether the realization of adsorption of carbon nanotubes with a small diameter with nanosized subgrains of Fe2O3 possible and which is the preferable orientation. All expected results will have fundamental importance and huge potential application and can be utilized in micro- and nanoelectronis (recommendation for creation of nano devices with use of various nanocomposites - nanodiods, cantilevers atom-powered microscopes, cold cathodes, Ph-meters, sensor controls, conductors of a various type etc.), medicine and pharmacology (recommendation for development and use of medical substances influencing the process of biosynthesis of protein).
Scientific keywords semi-empirical and non-empirical research, nanotubes, fullerene, nanotube’s composites, proton conductivity of nanostructures, hydrogenization of nanostructures, qubit cell, biochemical sensor controls on the basis of carbon nanotubes, hydrogen power, hiral effect in nanotubes
Publications on the topic (other references) 1. Litinskii А.О., Lebedev N.G., Zaporotskova I.V. Model ionno-vstroennogo covalentno-cyclicheskogo clastera v MNDO-raschetah mezmolecularnih vzaimodeistvii v geterogennih sistemah // Zurnal phisicheskoi himii. –1995. – V.69. № 1. – P. 189. 2. Zaporotskova I.V., Litinskii А.О., Chernozatonskii L.A. Osobennosti sorbcii legkih atomov na poverhnosti odnosloinogo uglerodnogo tubelena // Pis’ma v ZETF. – 1997. - V. 66. № 12. - P. 799 - 804. 3. Zaporotskova I.V., Lebedev N.G., Litinskii A.O., Chernozatonskii L.A. Features of the sorption of light atoms on single wall carbon nanotubes // Aerosols. – 1998. V. 4c. No. 5. – P.144. 4. Zaporotskova I.V., Lebedev N.G., Litinskii A.O., Chernozatonskii L.A. Hydrides of single-walled carbon nanotubes // Aerosols. – 1998. - V. 4c. No. 5. - P. 150. 5. Zaporotskova I.V., Lebedev N.G., Litinskii A.O., Chernozatonskii L.A. Electron structure of carbon nanotubes modified by alkali metal atoms // Aerosols. – 1998. - V. 4c. No. 5. - P.143. 6. Zaporotskova I.V., Lebedev N.G., Litinskii A.O., Chernozatonsky L.A., Gal’pern E.G., Stankevich I.V., Chistyakov A.L. Carbon single-walled nanotubes as adsorbents of light (H, O, C, Cl) and metal (Li, Na) atoms // Proc. The Second Pacific Basin Conf. «Adsorbtion science and technology», Ed. D.D.Do. Wold Scientific Pablishing Co. Pte Ltd. - 2000. – P. 125 - 129. 7. Lebedev N.G., Zaporotskova I.V., Chernozatonsky L.A. Issledovanie processov oksidirovaniya I ftorirovaniya odnosloinih uglerodnih nanotrubok v priblizenii MNDO // Fizika tverdogo tela. – 2002. - V. 44. № 3. - P. 464. 8. Zaporotskova I.V., Lebedev N.G., Chernozatonsky L.A. Kvantovo-himicheskii analiz modelei rosta odnosloinih uglerodnih nanotrubok na polienovih kol’cah // Zurnal fizicheskoi himii. – 2003. - V. 77. № 3. - P. 496 - 503. 9. Zaporotskova I.V., Lebedev N.G., Chernozatonsky L.A. Modelirovanie processa rosta uglerodnih nanotrubok na osnove polusferi fullerene // Zurnal fizicheskoii himii. - 2003. - V. 77. № 12. - P. 2254 - 2257. 10. Lebedev N.G., Zaporotskova I.V., Chernozatonskii L.A. Single and regular hydrogenation and oxidation of carbon nanotubes: MNDO calculations // International Journal of Quantum Chemistry. – 2003. V. 96. № 2. - P. 149 - 154. 11. Zaporotskova I.V., Chernozatonskii L.A. The Research of Mechanism of the Interaction of Fullerene and Cycloheximide for the Explanation of Positive Influence C60 to the Processes of Restoration of Spatial Memory // Fullerenes, nanotubes, and carbon nanostructures. – 2004. - V. 12. No 1. - P. 381 - 386. 12. Lebedev N.G., Zaporotskova I.V., Chernozatonskii L.A. Hiral effects of Single wall carbon nanotube fluorination and hydrogenation // Fullerenes, nanotubes, and carbon nanostructures. – 2004. - V.1&2. № 1, 2. - P. 443 - 448. 13. Lebedev N.G., Zaporotskova I.V., Chernozatonskii L.A. Fluorination of carbon nanotubes within molecular cluster method // Microelectronics Engineering. - 2003. - V. 69. № 2 – 4. - p. 511 - 518. 14. Lebedev N.G., Zaporotskova I.V., Chernozatonskii L.A. Fluorination of carbon nanotubes: quantum chemical investigation within MNDO approximation // International Journal of Quantum Chemistry. – 2003. - V. 96. № 2. - P. 142 - 148. 15. Zaporotskova I.V., Lebedev N.G., Chernozatonskii L.A. Elektronnoe stroenie uglerodnih nanotrubok, modificirovannih atomami schelochnih metallov // Fizika tverdogo tela. - 2004. - V. 46. № 6. - З. 1137 - 1142. 16. Lebedev N.G., Zaporotskova I.V., Chernozatonskii L.A. Quantum chemical investigations of the growth models of single wall carbon nanotubes on polyhen rings, fullerenes and diamond surface // Hydrogen materials science and chemistry of carbon nanomaterials. NATO Science Ser., II Mathematics, Physics and Chemistry 172. – 2004. - P. 259 - 278. 17. Lebedev N.G., Zaporotskova I.V., Chernozatonskii L.A. Quantum-chemical investigations of single wall carbon nanotube hydrogenation processes // Hydrogen materials science and chemistry of carbon nanomaterials. NATO Science Ser., II Mathematics, Physics and Chemistry 172. – 2004. - P. 243 - 258. 18. Belonenko M.B., Lebedev N.G., Zaporotskova I.V. A two-qubit cell on the basis of boron nitride nanotubes for the quantum computer // Los Alamos // Cond-mat/0209582. – 2004. 19. Zaporotskova I.V., Chernozatonskii L.A. Issledovanie mehanizma polizitel’nogo vliyaniya fullerene na processi vosstanovleniya prostranstvennoi pamyati // Vestnik novih medicinskih tehnologii. – 2005. - V. 12. № 2. - P. 117 – 118. 20. Zaporotskova I.V. Nanotubulyarnie strukturi: stroenie, svoistva I perspektivi // Nano- i mikrosistemnaya tehnika. – 2005. - № 10. - P. 7 – 18. 21. Zaporotskova I.V. Modificirovannie aliciklicheskie nanotubuleni: struktura I elektronnie harakteristiki // Nanotehnika. – 2005. - № 4. - P. 30 – 33. 22. Zaporotskova I.V. Zapolnenie uglerodnih nanotrub vodorodom: veroyatnie mehanizmi // Nanotehnika. – 2005. - № 4. - P. 34 – 37. 23. Zaporotskova I.V. Stroenie, svoistva I perspektivi ispol’zovaniya nanotubulyarnih materialov // Nanotehnika. – 2005. - № 4. - P. 21 – 30. 24. Zaporotskova I.V., Chernozatonskii L.A. A study on the mechanism of interaction between fullerene and cycloheximide for the explanation of beneficial effect of C60 on the processes of spatial memory restoration // Mendeleev Communication, 2005, p. 227 – 229. 25. Zaporotskova I.V. Struktura I elektronno-energeticheskie harakteristiki modificirovannih aliciclicheskih nanotubulenov // Nano- i mikrosistemnaya tehnika. - 2006, №1, P. 13-19. 26. Zaporotskova I.V., Lebedev N.G., Zaporotskov P.A. Protonnaya provodimost’ odnosloinih uglerodnih nanotrub: poluempiricheskie issledovaniya // Fizika tverdogo tela, 2006, V. 48, № 4, P. 756 – 760. 27. Zaporotskova I.V., Lebedev N.G. Mehanizmi zapolneniya odnosloinih uglerodnih nanotrubok atomarnim vodorodom // Himicheskaya fizika, 2006, V.25, № 5, P. 100 – 105. 28. Lebedev N.G., Zaporotskova I.V. Issledovanie processov gidrogenizacii boronitridnih nanotrub // himicheskaya fizika, 2006, V.26, № 6. 29. Zaporotskova I.V., Prokofieva E.V., Pervalova E.V., Davletova О.А. Nanotubulyarnie kompoziti I ih poluempiricheskie issledovaniya // Materiali elektronnoi tehniki, 2006, № 2, P. 4 – 15.
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