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1.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Chernozatonskii L.A., Sheka E.F., Sorokin P.B., Artukh A.A.
Заглавие : New carbon materials: modeling nanotube-graphene nanoribbons composites
Коллективы : "Fullerenes and Atomic Clusters", Biennial International Workshop
Место публикации : 9th Biennial International Workshop "Fullerenes and Atomic Clusters" (IWFAC 2009): July 6-10, 2009, St Petersburg, Russia : abstracts. - 2009. - Ст.P2.4. - С. 75
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2.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Chernozatonskii L.A., Sorokin P.B.
Заглавие : Graphene biribbons: the features of electronic properties
Коллективы : "Fullerenes and Atomic Clusters", Biennial International Workshop
Место публикации : 9th Biennial International Workshop "Fullerenes and Atomic Clusters" (IWFAC 2009): July 6-10, 2009, St Petersburg, Russia : abstracts. - 2009. - Ст.P2.3. - С. 74
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3.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Sorokin P.B., Avramov P.V., Demin V.A., Chernozatonskii L.A.
Заглавие : Beta-phase silicon nanowires: structure and properties
Коллективы : "Fullerenes and Atomic Clusters", Biennial International Workshop
Место публикации : 9th Biennial International Workshop "Fullerenes and Atomic Clusters" (IWFAC 2009): July 6-10, 2009, St Petersburg, Russia : abstracts. - 2009. - Ст.P4.4. - С. 99
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4.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sorokin P.B., Kvashnin D.G., Kvashnin A.G., Avramov P. V., Chernozatonskii L.A.
Заглавие : Theoretical study of elastic properties of SiC nanowires of different shapes
Место публикации : J. Nanosci. Nanotechnol. - 2010. - Vol. 10, Is. 8. - P.4992-4997. - ISSN 1533-4880, DOI 10.1166/jnn.2010.2424. - ISSN 1533-4899
Примечания : Cited Reference Count: 49. - Гранты: This work was partially supported by JSPS-RFBR collaborative grant 09-02-92107. The electronic structure calculations have been performed on the Joint Supercomputer Centre of the Russian Academy of Sciences. One of the authors (Pavel V. Avramov) acknowledges the encouragement of Professor K. Morokuma, research leader of Fukui Institute, Kyoto University and Dr. Alister Page for kind help and support. The geometry of all structures was visualized by ChemCraft software.SUP53/SUPФинансирующая организация: JSPS-RFBR [09-02-92107]; Fukui Institute, Kyoto University
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
SILICON-CARBIDE
THERMAL-STABILITY
CARBON NANOTUBES
NANORODS
GROWTH
SURFACES
NANOCRYSTALS
POTENTIALS
CONSTANTS
Ключевые слова (''Своб.индексиров.''): silicon carbide--nanowires--elastic properties--dft--molecular mechanics--dft--elastic properties--molecular mechanics--nanowires--silicon carbide--atomic structure--cubic phasis--dft--effective size--elastic properties--sic nanowire--silicon carbide nanowires--theoretical study--wire geometries--young's modulus--crystal atomic structure--density functional theory--elastic moduli--elasticity--molecular mechanics--nanowires--wire--silicon carbide
Аннотация: The atomic structure and elastic properties of silicon carbide nanowires of different shapes and effective sizes were studied using density functional theory and classical molecular mechanics. Upon surface relaxation, surface reconstruction led to the splitting of the wire geometry, forming both hexagonal (surface) and cubic phases (bulk). The behavior of the pristine SiC wires under compression and stretching was studied and Young's moduli were obtained. For Y-shaped SiC nanowires the effective Young's moduli and behavior in inelastic regime were elucidated.
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5.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sorokin P.B., Kvashnin A.G., Kvashnin D.G., Filicheva J.A., Avramov P. V., Chernozatonskii L.A., Fedorov A. S.
Заглавие : Theoretical Study of Atomic Structure and Elastic Properties of Branched Silicon Nanowires
Место публикации : ACS Nano. - 2010. - Vol. 4, Is. 5. - P.2784-2790. - MAY. - ISSN 1936-0851, DOI 10.1021/nn9018027
Примечания : Cited Reference Count: 28. - Гранты: P.B.S. acknowledges partial support by the National Science Foundation grant CMMI-0708096, NIRT. L.A.C. was supported by the Russian Academy of Sciences, program No. 21. P.V.A. and P.B.S. also acknowledge the collaborative RFBR-JSPS Grant No. 09-02-92107-Phi. All calculations have been performed on the Joint Supercomputer Center of the Russian Academy of Sciences. The geometry of all presented structures was visualized by ChemCraft software.Финансирующая организация: National Science Foundation [CMMI-0708096]; NIRT; Russian Academy of Sciences [21]; RFBR-JSPS [09-02-92107-Phi]
Предметные рубрики: ELECTRONIC-PROPERTIES
BUILDING-BLOCKS
NANOCRYSTALS
Ключевые слова (''Своб.индексиров.''): silicon nanowires--elastic properties--molecular mechanics--tersoff potential--elastic properties--molecular mechanics--silicon nanowires--tersoff potential--atomic structure--branch length--elastic properties--interatomic potential--silicon nanowires--tersoff potential--theoretical study--young modulus--carbon nanotubes--elasticity--molecular mechanics--nanowires--stiffness--crystal atomic structure--nanowire--silicon--article--chemical structure--chemistry--conformation--elasticity--mechanical stress--young modulus--elastic modulus--elasticity--models, molecular--molecular conformation--nanowires--silicon--stress, mechanical
Аннотация: The atomic structure and elastic properties of Y-shaped silicon nanowires of "fork"- and "bough"-types were theoretically studied, and effective Young moduli were calculated using Tersoff interatomic potential. The oscillation of fork Y-type branched nanowires with various branch lengths and diameters was studied. In the final stages of the bending, the formation of new bonds between different parts of the wires was observed. It was found that the stiffness of the nanowires is comparable with the stiffness of Y-shaped carbon nanotubes.
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6.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sorokin P. B., Avramov P.V., Yakobson B.I., Chernozatonskii L.A.
Заглавие : Magnesium Boride Nanotubes: Relative Stability and Atomic and Electronic Structure
Место публикации : J. Phys. Chem. C. - 2010. - Vol. 114, Is. 11. - P.4852-4856. - MAR 25. - ISSN 1932-7447, DOI 10.1021/jp9112014
Примечания : Cited Reference Count: 38. - Гранты: P.B.S. and B.I.Y. acknowledge support by the Basic Energy Sciences division of the Department of Energy, award DE-SC0001479. L.A.C. was supported by the Russian Academy of Sciences, program No. 21. P.V.A ad P.B.S. also acknowledge the collaborative RFBR-JSPS grant No. 09-02-92107-R Phi. We are grateful to the Joint Supercomputer Center of the Russian Academy of Sciences for the possibility of using a cluster computer for quantum chemical calculations. The geometry of all presented structures was visualized by commercial ChemCraft software (http://www.chemcraftprog.com).Финансирующая организация: Basic Energy Sciences division of the Department of Energy [DE-SC0001479]; Russian Academy of Sciences [21]; RFBR-JSPS [09-02-92107-RPhi]
Предметные рубрики: BORON
PSEUDOPOTENTIALS
FULLERENES
SIMULATION
FORM
Ключевые слова (''Своб.индексиров.''): basic composition--bending behavior--comparative studies--diborides--energy analysis--energy minima--magnesium atom--magnesium boride--mgb2--relative stabilities--semiconducting behavior--small-diameter--staggered configuration--sub-lattices--bending (forming)--borides--boron--electronic properties--electronic structure--energy management--magnesium--nanotubes--density functional theory
Аннотация: A comparative study of file energies and the electronic structure of MgBx nanotubes is performed within the framework of the density functional theory. Different basic compositions (x = 2 for diboride and x = 3 for triboride) and different diameters (3 angstrom D 18 angstrom), as well the exterior, interior, and staggered placement of magnesium atoms, are considered. Energy analysis reveals a nontrivial bending behavior of the MgB2 sheets. such that the tubes with exterior and staggered configurations display the energy minima at certain small diameters (of the boron cage sublattice). The semiconducting behavior of narrow MgB2 nanotubes with exterior Mg position was observed.
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7.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P.V., Sorokin P.B., Fedorov D.G., Chernozatonskii L.A., Narumi K., Ovchinnikov S.G., Morokuma K.
Заглавие : Quantum dots embedded into silicon nanowires effectively partition electron confinement
Место публикации : J. Appl. Physics. - 2008. - Vol. 104. - С. 054305(6)
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8.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P.V., Fedorov D.G., Sorokin P. B., Chernozatonskii L.A., Gordon M.S.
Заглавие : New symmetric families of silicon quantum dots and their conglomerates as a tunable source of photoluminescence in nanodevices
Место публикации : arXiv: Cornell University, 2008. - Ст.0709.2279v1
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9.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Sorokin P. B. , Chernozatonskii L. A. , Gordon M. S.
Заглавие : Multiterminal nanowire junctions of silicon: A theoretical prediction of atomic structure and electronic properties
Место публикации : Nano Letters: American Chemical Society, 2007. - Т. 7, № 7. - С. 2063-2067. - ISSN 1530-6984, DOI 10.1021/nl070973y. - ISSN 1530-6992(eissn)
ГРНТИ : 34
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10.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Sorokin P.B., Chernozatonskii L.A.
Заглавие : The theoretical prediction of new MgB2 nanotubes
Коллективы : "Fullerenes and Atomic Clusters", Biennial International Workshop
Место публикации : 9th Biennial International Workshop "Fullerenes and Atomic Clusters" (IWFAC 2009): July 6-10, 2009, St Petersburg, Russia : abstracts. - 2009. - Ст.P4.8. - С. 103
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