21.
Rurali, R; Coluci, VR; Galvao, DS
Prediction of giant electroactuation for papyruslike carbon nanoscroll structures: first-principles calculations Journal Article
In: Physical Review B, vol. 74, no. 8, pp. 085414, 2006.
@article{rurali2006prediction,
title = {Prediction of giant electroactuation for papyruslike carbon nanoscroll structures: first-principles calculations},
author = {Rurali, R and Coluci, VR and Galvao, DS},
url = {http://journals.aps.org/prb/abstract/10.1103/PhysRevB.74.085414},
year = {2006},
date = {2006-01-01},
journal = {Physical Review B},
volume = {74},
number = {8},
pages = {085414},
publisher = {American Physical Society},
abstract = {We study by first-principles calculations the electromechanical response of carbon nanoscroll structures. We show that although they present a very similar behavior to carbon nanotubes in their axial deformation sensitivity, they exhibit a radial response upon charge injection which is up to one order of magnitude larger. In association with their high stability, this behavior makes them a natural choice for a new class of very efficient nanoactuators.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
We study by first-principles calculations the electromechanical response of carbon nanoscroll structures. We show that although they present a very similar behavior to carbon nanotubes in their axial deformation sensitivity, they exhibit a radial response upon charge injection which is up to one order of magnitude larger. In association with their high stability, this behavior makes them a natural choice for a new class of very efficient nanoactuators.
22.
Coluci, Vitor; Braga, Scheila F; Baughman, Ray H; Galvao, Douglas S
Hydrogen Storage in Carbon Nanoscrolls: A Molecular Dynamics Study Proceedings
Cambridge University Press, vol. 885, 2005.
@proceedings{coluci2005hydrogen,
title = {Hydrogen Storage in Carbon Nanoscrolls: A Molecular Dynamics Study},
author = {Coluci, Vitor and Braga, Scheila F and Baughman, Ray H and Galvao, Douglas S},
url = {http://journals.cambridge.org/action/displayAbstract?fromPage=online&aid=8012272&fileId=S1946427400039816},
year = {2005},
date = {2005-01-01},
journal = {MRS Proceedings},
volume = {885},
pages = {0885--A06},
publisher = {Cambridge University Press},
abstract = {We carried out molecular dynamics simulations with Tersoff-Brenner potentials in order to investigate the hydrogen uptake mechanisms and storage capacity of carbon nanoscrolls (CNSs). CNSs are jelly roll-like structures formed by wrapping graphene layers. Interlayer adsorption is an option for this material, which does not exist for single and multiwalled carbon nanotubes. We analyzed the processes of hydrogen physisorption and uptake mechanisms. We observed incorporation of hydrogen molecules in both external and internal scroll surfaces. Insertion in the internal cavity and between the scroll layers is responsible for 40% of the total hydrogen adsorption at 77 K.},
keywords = {},
pubstate = {published},
tppubtype = {proceedings}
}
We carried out molecular dynamics simulations with Tersoff-Brenner potentials in order to investigate the hydrogen uptake mechanisms and storage capacity of carbon nanoscrolls (CNSs). CNSs are jelly roll-like structures formed by wrapping graphene layers. Interlayer adsorption is an option for this material, which does not exist for single and multiwalled carbon nanotubes. We analyzed the processes of hydrogen physisorption and uptake mechanisms. We observed incorporation of hydrogen molecules in both external and internal scroll surfaces. Insertion in the internal cavity and between the scroll layers is responsible for 40% of the total hydrogen adsorption at 77 K.
23.
Troche, Karla S; Coluci, Vitor R; Braga, Scheila F; Chinellato, David D; Sato, Fernando; Legoas, Sergio B; Rurali, Riccardo; Galvao, Douglas S
Prediction of ordered phases of encapsulated C60, C70, and C78 inside carbon nanotubes Journal Article
In: Nano letters, vol. 5, no. 2, pp. 349–355, 2005.
@article{troche2005prediction,
title = {Prediction of ordered phases of encapsulated C60, C70, and C78 inside carbon nanotubes},
author = {Troche, Karla S and Coluci, Vitor R and Braga, Scheila F and Chinellato, David D and Sato, Fernando and Legoas, Sergio B and Rurali, Riccardo and Galvao, Douglas S},
url = {http://pubs.acs.org/doi/abs/10.1021/nl047930r},
year = {2005},
date = {2005-01-01},
journal = {Nano letters},
volume = {5},
number = {2},
pages = {349--355},
publisher = {ACS Publications},
abstract = {arbon nanotube scrolls (CNSs) provide an interesting form of carbon that ideally consists of a single sheet of graphite that is spiral wrapped to form a nanotube. We here use molecular dynamics simulations to investigate CNS formation, stability, and the structural effects due to charge injection. CNS formation is seen to automatically occur when a critical overlap between sheet layers is achieved for the partially curled sheet. We find that charge injection causes unwinding of the CNSs, which might be important for the application of CNSs as nanomechanical
actuators.
},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
arbon nanotube scrolls (CNSs) provide an interesting form of carbon that ideally consists of a single sheet of graphite that is spiral wrapped to form a nanotube. We here use molecular dynamics simulations to investigate CNS formation, stability, and the structural effects due to charge injection. CNS formation is seen to automatically occur when a critical overlap between sheet layers is achieved for the partially curled sheet. We find that charge injection causes unwinding of the CNSs, which might be important for the application of CNSs as nanomechanical
actuators.
actuators.
24.
Braga, Scheila F; Coluci, Vitor R; Legoas, Sergio B; Giro, Ronaldo; Galvao, Douglas S; Baughman, Ray H
Structure and dynamics of carbon nanoscrolls Journal Article
In: Nano Letters, vol. 4, no. 5, pp. 881–884, 2004.
@article{braga2004structure,
title = {Structure and dynamics of carbon nanoscrolls},
author = {Braga, Scheila F and Coluci, Vitor R and Legoas, Sergio B and Giro, Ronaldo and Galvao, Douglas S and Baughman, Ray H},
url = {http://pubs.acs.org/doi/abs/10.1021/nl0497272},
year = {2004},
date = {2004-01-01},
journal = {Nano Letters},
volume = {4},
number = {5},
pages = {881--884},
publisher = {American Chemical Society},
abstract = {Carbon nanotube scrolls (CNSs) provide an interesting form of carbon that ideally consists of a single sheet of graphite that is spiral wrapped
to form a nanotube. We here use molecular dynamics simulations to investigate CNS formation, stability, and the structural effects due to
charge injection. CNS formation is seen to automatically occur when a critical overlap between sheet layers is achieved for the partially curled
sheet. We find that charge injection causes unwinding of the CNSs, which might be important for the application of CNSs as nanomechanical
actuators},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Carbon nanotube scrolls (CNSs) provide an interesting form of carbon that ideally consists of a single sheet of graphite that is spiral wrapped
to form a nanotube. We here use molecular dynamics simulations to investigate CNS formation, stability, and the structural effects due to
charge injection. CNS formation is seen to automatically occur when a critical overlap between sheet layers is achieved for the partially curled
sheet. We find that charge injection causes unwinding of the CNSs, which might be important for the application of CNSs as nanomechanical
actuators
to form a nanotube. We here use molecular dynamics simulations to investigate CNS formation, stability, and the structural effects due to
charge injection. CNS formation is seen to automatically occur when a critical overlap between sheet layers is achieved for the partially curled
sheet. We find that charge injection causes unwinding of the CNSs, which might be important for the application of CNSs as nanomechanical
actuators
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