Zobrazeno 1 - 10
of 43
pro vyhledávání: '"Viktoria V. Ivanovskaya"'
Autor:
Viktoria V. Ivanovskaya, Alberto Zobelli, Andrea Basagni, Stefano Casalini, Luciano Colazzo, Francesco de Boni, Dimas G. de Oteyza, Mauro Sambi, Francesco Sedona
Publikováno v:
The Journal of Physical Chemistry C
The growth of controlled 1D carbon-based nanostructures on metal surfaces is a multistep process whose path, activation energies and intermediate metastable states strongly depend on the employed substrate. Whereas this process has been extensively s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b7d0c397c74231dec9fd446fa15ec5c5
https://hdl.handle.net/11577/3470699
https://hdl.handle.net/11577/3470699
Publikováno v:
Journal of Superhard Materials. 32:67-87
The state-of-the-art in theoretical research directed at the search for superhard materials based on carbon fullerenes and nanotubes has been briefly reviewed. The data available on elastic properties of the main groups of condensed phases that form
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5615c8c113b065cd47cfeecd70e69807
https://doi.org/10.3103/s1063457610020012
https://doi.org/10.3103/s1063457610020012
Publikováno v:
International Journal of Quantum Chemistry. 110:2231-2236
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c78fb63edf57f1bd81c948ea607ce0c8
https://doi.org/10.1002/qua.22564
https://doi.org/10.1002/qua.22564
Publikováno v:
Inorganic Materials. 43:349-357
Density functional tight-binding calculations are used to investigate the structure, electronic properties, energy stability, and thermal behavior (0–1500 K) of extended monolithic (nanowires) and hollow (nanotubes) diamond-like carbon nanostructur
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6c20f493ec9256c196102af8c001019a
https://doi.org/10.1134/s0020168507040048
https://doi.org/10.1134/s0020168507040048
Publikováno v:
Diamond and Related Materials. 16:243-247
Structural, elastic and electronic properties of diamond-like allotropes of Ti, Fe and Zn monocarbides were calculated by means of density functional-based tight binding method (DFTB) and analyzed in comparison with those for cubic (B1) monocarbides.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0b6561237acee4602fe4ddc4271119ff
https://doi.org/10.1016/j.diamond.2006.05.015
https://doi.org/10.1016/j.diamond.2006.05.015
Publikováno v:
physica status solidi (b). 243:1757-1764
The effect of Mo Nb substitution on the electronic structure of MoS2 nanotubes has been investigated using the density functional tight binding method (DFTB). It has been found that composite Mo1–xNbxS2 nanotubes (with Nb contents of 5, 10 and 25 a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::95bedd45f11f2285e1b784a513d6ae33
https://doi.org/10.1002/pssb.200541506
https://doi.org/10.1002/pssb.200541506
Publikováno v:
Theoretical and Experimental Chemistry. 42:207-210
The structural and electronic characteristics of thin diamond-like nanocrystallites (with cross-sectional areas 5 < S < 280 A2) were investigated by the electron density functional tight binding (DFTB) method. A new type of extended “hybrid” (sp3
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aefba4b9562a22f6933051afce034dfe
https://doi.org/10.1007/s11237-006-0040-5
https://doi.org/10.1007/s11237-006-0040-5
Publikováno v:
Russian Journal of Physical Chemistry. 80:372-379
The nonempirical density-functional tight-binding approach to band structure calculations was used to study the structural and electronic properties of new boron nitride graphyne-like nanotubes (α-BN-NT) constructed on the basis of the atomic motif
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c655b1ea259057e64ea3f41f7b7d2634
https://doi.org/10.1134/s0036024406030125
https://doi.org/10.1134/s0036024406030125
Publikováno v:
Russian Journal of Inorganic Chemistry. 51:320-324
The effect of doping transition metal disulfide nanotubes on their structural and electronic properties was studied for the first time using self-consistent band-structure calculations by the density functional tight-binding method (DFTB). The influe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::39d45747ed5ccdf58623ff5178482b43
https://doi.org/10.1134/s0036023606020215
https://doi.org/10.1134/s0036023606020215
Autor:
Ifat Kaplan-Ashiri, Viktoria V. Ivanovskaya, H. Daniel Wagner, Thomas Heine, Sidney R. Cohen, Konstantin Gartsman, Inna Wiesel, Reshef Tenne, Gotthard Seifert
Publikováno v:
Proceedings of the National Academy of Sciences. 103:523-528
The mechanical properties of materials and particularly the strength are greatly affected by the presence of defects; therefore, the theoretical strength (≈10% of the Young's modulus) is not generally achievable for macroscopic objects. On the cont
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::34928634f8e88280fcd297ad52426062
https://doi.org/10.1073/pnas.0505640103
https://doi.org/10.1073/pnas.0505640103