activity
20022018
most citedMolecular Dynamics Simulations of Carbon Nanotubes as Gigahertz Oscillators

373 citations · 927 across the 8 of their papers we have counts for

collaborators

8 papers

cond-mat.mes-hall2018★ 22 cited

Defect-Free Carbon Nanotube Coils

Nitzan Shadmi, Anna Kremen, Yiftach Frenkel +11

Carbon nanotubes are promising building blocks for various nanoelectronic components. A highly desirable geometry for such applications is a coil. However, coiled nanotube structur…

physics.chem-ph2010★ 22 cited

Carbon Nanotube with Square Cross-section: An Ab Initio Investigation

P A S Autreto, S B Legoas, M Z S Flores +1

Recently, Lagos et al. (Nature Nanotechnology 4, 149 (2009)) reported the discovery of the smallest possible silver square cross-section nanotube. A natural question is whether sim…

cond-mat.mtrl-sci2009★ 263 cited

Graphene to Graphane: A Theoretical Study

Marcelo Z. S. Flores, Pedro A. S. Autreto, Sergio B. Legoas +1

Graphane is a two-dimensional system consisting of a single layer of fully saturated (sp hybridization) carbon atoms. In an ideal graphane structure C-H bonds exhibit an altern…

cond-mat.mtrl-sci2009★ 2 cited

Graphene to Graphane: The Role of H Frustration in Lattice Contraction

Sergio B. Legoas, Pedro A. S. Autreto, Marcelo Z. S. Flores +1

Graphane is a two-dimensional system consisting of a single planar layer of fully saturated (sp hybridization) carbon atoms with H atoms attached to them in an alternating patt…

cond-mat.mtrl-sci2007★ 127 cited

Molecular Recognition Effects in the Surface Diffusion of Large Organic Molecules: The Case of Violet Lander

F. Sato, S. B. Legoas, R. Otero +6

Violet Lander (VL) (C108H104) is a large organic molecule that when deposited on Cu (110) exhibited lock-and-key like behavior (Otero et al., Nature Mater. 3, 779 (2004)). In this…

cond-mat.mtrl-sci2002★ 373 cited

Molecular Dynamics Simulations of Carbon Nanotubes as Gigahertz Oscillators

S. B. Legoas, V. R. Coluci, S. F. Braga +3

Recently Zheng and Jiang [PRL 88, 045503 (2002)], based on static models, have proposed that multiwalled carbon nanotubes could be the basis for a new generation of nanooscilators…