Search Results - "Ivanovskaya, V.V."

Hydrogen adsorption on graphene: a first principles study by Ivanovskaya, V. V., Zobelli, A., Teillet-Billy, D., Rougeau, N., Sidis, V., Briddon, P. R.

“… We present a systematic ab initio study of atomic hydrogen adsorption on graphene. The characteristics of the adsorption process are discussed in relation…”
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Tubular structures of titanium disulfide TiS2 by Ivanovskaya, V.V., Seifert, G.

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Electronic structure and magnetism in BeO nanotubes induced by boron, carbon and nitrogen doping, and beryllium and oxygen vacancies inside tube walls by Gorbunova, M.A., Shein, I.R., Makurin, Yu.N., Ivanovskaya, V.V., Kijko, V.S., Ivanovskii, A.L.

“…We have performed ab initio calculations to systematically investigate electronic properties and magnetism of insulating non-magnetic beryllium monoxide…”
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Tubular structures of titanium disulfide TiS 2 by Ivanovskaya, V.V., Seifert, G.

“…The atomic models of single wall zigzag (n,0)- and armchair (n,n)- TiS 2 nanotubes have been constructed and the structural, electronic properties and…”
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Molecular Dynamics Study of the Mechanical and Electronic Properties of Carbon Nanotubes by Ivanovskaya, Viktoria V., Ranjan, Nitesh, Heine, Thomas, Merino, Gabriel, Seifert, Gotthard

“…Density‐functional‐based molecular dynamics simulations were used to study the mechanical and electronic properties of armchair and zigzag carbon nanotubes…”
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Electronic band structure of new quasi-one-dimensional crystals: Zr 8C 12 and Nb 8C 12 clusters inside single-walled carbon, silicon, BN and GaN nanotubes by Ivanovskaya, V.V., Sofronov, A.A., Ivanovskii, A.L.

“…New types of nanocomposites, namely quasi-one-dimensional crystals containing regular chains of metallocarbohedrenes Zr 8C 12 and Nb 8C 12 encapsulated into…”
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Electronic properties of single-walled V2O5 nanotubes by Ivanovskaya, V.V, Enyashin, A.N, Sofronov, A.A, Makurin, Yu.N, Medvedeva, N.I, Ivanovskii, A.L

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Electronic band structure of scroll-like divanadium pentoxide nanotubes by Enyashin, A.N., Ivanovskaya, V.V., Makurin, Yu.N., Ivanovskii, A.L.

“…The atomic models of infinite-long divanadium pentoxide nanotubes with scroll-like morphology are presented and their electronic properties are studied using…”
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Electronic band structure of new quasi-one-dimensional crystals: Zr8C12 and Nb8C12 clusters inside single-walled carbon, silicon, BN and GaN nanotubes by Ivanovskaya, V.V., Sofronov, A.A., Ivanovskii, A.L.

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Structural, elastic and electronic properties of metastable diamond-like Ti, Fe and Zn monocarbides: Density functional-based tight binding calculations by Ivanovskaya, V.V., Shein, I.R., Ivanovskii, A.L.

“…Structural, elastic and electronic properties of diamond-like allotropes of Ti, Fe and Zn monocarbides were calculated by means of density functional-based…”
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New one-dimensional crystals of (Sc,Ti,V) 8C 12 metallocarbohedrenes in carbon and boron–nitrogen (12,0) nanotubes: quantum chemical simulation of the electronic structure by Sofronov, A.A, Ivanovskaya, V.V, Makurin, Yu.N, Ivanovskii, A.L

“…Quantum chemical simulation of new quasi-one-dimensional crystals (1D-M 8C 12@(12,0)C,BN-NT) consisting of regular chains of metallocarbohedrenes (met-cars M…”
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Electronic properties of Mo-doped cylindrical and scroll-like divanadium pentoxide nanotubes by Enyashin, A.N, Ivanovskaya, V.V, Makurin, Yu.N, Volkov, V.L, Ivanovskii, A.L

“…Atomic models of molybdenum-doped divanadium pentoxide (V 1.9Mo 0.1O 5) nanotubes with cylindrical as well as with scroll-like morphology are presented and…”
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New one-dimensional crystals of (Sc, Ti, V)8C12 metallocarbohedrenes in carbon and boron-nitrogen (12, 0) nanotubes: quantum chemical simulation of the electronic structure by SOFRONOV, A. A, IVANOVSKAYA, V. V, MAKURIN, Yu. N, IVANOVSKII, A. L

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Electronic properties of single-walled V 2O 5 nanotubes by Ivanovskaya, V.V, Enyashin, A.N, Sofronov, A.A, Makurin, Yu.N, Medvedeva, N.I, Ivanovskii, A.L

“…Atomistic models of quasi-one-dimensional vanadium pentoxide nanostructures—single-walled nanotubes formed by rolling (010) layers of V 2O 5 are constructed…”
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Quantum chemical simulation of the electronic properties of new ‘hybrid’ nanostructures: metallocarbohedrenes (Sc, Ti, V) 8C 12 incapsulated in single-walled boron–carbon–nitrogen nanotubes by Ivanovskaya, V.V, Sofronov, A.A, Makurin, Yu.N, Ivanovskii, A.L

“…The electronic properties of new quasi-one-dimensional crystals consisting of regular chains of metallocarbohedrenes Sc 8C 12, Ti 8C 12, and V 8C 12 ( T h…”
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Quantum chemical simulation of the electronic properties of new ‘hybrid’ nanostructures: metallocarbohedrenes (Sc, Ti, V)8C12 incapsulated in single-walled boron–carbon–nitrogen nanotubes by Ivanovskaya, V.V, Sofronov, A.A, Makurin, Yu.N, Ivanovskii, A.L

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Quantum chemical simulation of the electronic structure and chemical bonding in (6,6), (11,11) and (20,0)-like metal-boron nanotubes by Ivanovskaya, V.V., Enjashin, A.N., Sofronov, A.A., Makurin, Yu.N., Medvedeva, N.I., Ivanovskii, A.L.

“…Using the tight-binding method we carried out the band structure calculations of hypothetical armchair (6,6), (11,11) and zigzag (20,0)-like metal-boron…”
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