Publications

@article{rurali2006predictionb,
title = {Prediction of Giant Electro-actuation for Carbon Nanoscrolls},
author = {Rurali, R and Coluci, VR and Galvao, DS},
url = {http://arxiv.org/abs/cond-mat/0603239},
year = {2006},
date = {2006-01-01},
journal = {arXiv preprint cond-mat/0603239},
abstract = {We study by first-principles calculations the electro-mechanical response of carbon nanoscrolls. We show that although they present a very similar behavior to carbon nanotubes for what concerns the 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 make them a natural choice for a new class of very efficient nano-actuators.},
keywords = {DFT, Electroactuation, Electronic Structure, Scrolls},
pubstate = {published},
tppubtype = {article}
}

@article{coluci2004theoretical,
title = {Theoretical investigation of electromechanical effects for graphyne carbon nanotubes},
author = {Coluci, VR and Galvao, DS and Baughman, RH},
url = {http://scitation.aip.org/content/aip/journal/jcp/121/7/10.1063/1.1772756},
year = {2004},
date = {2004-01-01},
journal = {The Journal of chemical physics},
volume = {121},
number = {7},
pages = {3228--3237},
publisher = {AIP Publishing},
abstract = {We present a theoretical study of the electronic and mechanical properties of graphyne-based nanotubes (GNTs). These semiconducting nanotubes result from the elongation of one-third of the covalent interconnections of graphite-based nanotubes by the introduction of yne groups. The effect of charge injection on the dimensions of GNTs was investigated using tight-binding calculations. Low amounts of electron injection are predicted to cause qualitatively different responses for armchair and zigzag graphyne nanotubes. Although the behavior is qualitatively similar to the usual carbon nanotubes, the charge-induced strains are predicted to be smaller for the GNTs than for ordinary single walled carbon nanotubes.},
keywords = {Allotropes, Electroactuation, Electronic Structure, Graphynes, Nanotubes},
pubstate = {published},
tppubtype = {article}
}