263 citations · 328 across the 5 of their papers we have counts for
5 papers
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…
Mechanical Deformation of Nanoscale Metal Rods: When size and shape matters
Maureen J. Lagos, Fernando Sato, Douglas S. Galvao +1
Understanding nanomechanical response of materials represents a scientific challenge. Here, we have used in-situ electron microscopy to reveal drastic for the first time changes of…
Rotational dynamics and polymerization of C in C-cubane crystals: A molecular dynamics study
Vitor R. Coluci, Fernando Sato, Scheila F. Braga +2
We report classical and tight-binding molecular dynamics simulations of the C fullerene and cubane molecular crystal in order to investigate intermolecular dynamics and poly…
Modeling the Auxetic Transition for Carbon Nanotube Sheets
Vitor R. Coluci, Lee J. Hall, Mikhail E. Kozlov +4
A simple model is developed to predict the complex mechanical properties of carbon nanotube sheets (buckypaper) [Hall \textit{et al.}, \textit{Science} \textbf{320} 504 (2008)]. Fa…
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…