D
David Tománek
Researcher at Michigan State University
Publications - 321
Citations - 40147
David Tománek is an academic researcher from Michigan State University. The author has contributed to research in topics: Carbon nanotube & Ab initio. The author has an hindex of 72, co-authored 319 publications receiving 37542 citations. Previous affiliations of David Tománek include École Polytechnique Fédérale de Lausanne & Fritz Haber Institute of the Max Planck Society.
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Computational study of the thermal conductivity in defective carbon nanostructures
TL;DR: In this paper, nonequilibrium molecular dynamics simulations were used to study the adverse role of defects including isotopic impurities on the thermal conductivity of carbon nanotubes, graphene, and graphene nanoribbons.
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Orientational melting in carbon nanotube ropes
Young-Kyun Kwon,David Tománek +1 more
TL;DR: Using Monte Carlo simulations, the energetics of a rope containing twistons are mapped onto a lattice gas model and it is found that the onset of a free "diffusion" of twistons, corresponding to orientational melting, occurs at T(OM) greater, similar to 160 K.
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Degenerately Doped Transition Metal Dichalcogenides as Ohmic Homojunction Contacts to Transition Metal Dichalcogenide Semiconductors
TL;DR: The results indicate that, besides a rigid band shift associated with charge transfer, the presence of molybdenum oxide modifies the electronic structure of MoS2 very little.
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Ionicity of the MC60 bond in M@C60 endohedral complexes
David Tománek,Y.S. Li +1 more
TL;DR: In this article, the character of the bond between encapsulated atoms and the enclosing C6o shell in M@C6o endohedral complexes is revisited using the density functional formalism.
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Topologically protected conduction state at carbon foam surfaces: an ab initio study.
TL;DR: Results of ab initio electronic structure and quantum conductance calculations indicating the emergence of conduction at the surface of semiconducting carbon foams indicate that the conductance behavior may be further significantly modified by surface patterning.