1.
Brunetto, G; Galvao, DS
Graphene-like Membranes: From Impermeable to Selective Sieves Proceedings
Cambridge University Press, vol. 1658, 2014.
@proceedings{brunetto2014graphene,
title = {Graphene-like Membranes: From Impermeable to Selective Sieves},
author = {Brunetto, G and Galvao, DS},
url = {http://journals.cambridge.org/action/displayAbstract?fromPage=online&aid=9248039&fileId=S1946427414004011},
year = {2014},
date = {2014-01-01},
journal = {MRS Proceedings},
volume = {1658},
pages = {mrsf13--1658},
publisher = {Cambridge University Press},
abstract = {Recently, it was proposed that graphene membranes could act as impermeable atomic
structures to standard gases. For some other applications, a higher level of porosity is needed,
and the so-called Porous Graphene (PG) and Biphenylene Carbon (BPC) membranes are good
candidates to effectively work as selective sieves. In this work we have used classical molecular
dynamics simulations to study the dynamics of membrane permeation of He and Ar atoms and
possible selectivity effects. For the graphene membranes we did not observe any leakage
through the membrane and/or membrane/substrate interface until a critical pressure limit, then a
sudden membrane detachment occurs. PG and BPC membranes are not impermeable as
graphene ones, but there are significant energy barriers to diffusion depending on the atom type.
Our results show that this kind of porous membranes can be effectively used as selective sieves
for pure and mixtures of gases.},
keywords = {},
pubstate = {published},
tppubtype = {proceedings}
}
Recently, it was proposed that graphene membranes could act as impermeable atomic
structures to standard gases. For some other applications, a higher level of porosity is needed,
and the so-called Porous Graphene (PG) and Biphenylene Carbon (BPC) membranes are good
candidates to effectively work as selective sieves. In this work we have used classical molecular
dynamics simulations to study the dynamics of membrane permeation of He and Ar atoms and
possible selectivity effects. For the graphene membranes we did not observe any leakage
through the membrane and/or membrane/substrate interface until a critical pressure limit, then a
sudden membrane detachment occurs. PG and BPC membranes are not impermeable as
graphene ones, but there are significant energy barriers to diffusion depending on the atom type.
Our results show that this kind of porous membranes can be effectively used as selective sieves
for pure and mixtures of gases.
structures to standard gases. For some other applications, a higher level of porosity is needed,
and the so-called Porous Graphene (PG) and Biphenylene Carbon (BPC) membranes are good
candidates to effectively work as selective sieves. In this work we have used classical molecular
dynamics simulations to study the dynamics of membrane permeation of He and Ar atoms and
possible selectivity effects. For the graphene membranes we did not observe any leakage
through the membrane and/or membrane/substrate interface until a critical pressure limit, then a
sudden membrane detachment occurs. PG and BPC membranes are not impermeable as
graphene ones, but there are significant energy barriers to diffusion depending on the atom type.
Our results show that this kind of porous membranes can be effectively used as selective sieves
for pure and mixtures of gases.
2.
Perim, Eric; Fonseca, Alexandre F; Galvao, Douglas S
When Small is Different: The Case of Membranes Inside Tubes Proceedings
Cambridge University Press, vol. 1451, 2012.
@proceedings{perim2012small,
title = {When Small is Different: The Case of Membranes Inside Tubes},
author = {Perim, Eric and Fonseca, Alexandre F and Galvao, Douglas S},
url = {http://journals.cambridge.org/action/displayAbstract?fromPage=online&aid=8637821&fileId=S1946427412012523},
year = {2012},
date = {2012-01-01},
journal = {MRS Proceedings},
volume = {1451},
pages = {15--20},
publisher = {Cambridge University Press},
abstract = {Recently, classical elasticity theory for thin sheets was used to demonstrate the existence of a universal structural behavior describing the confinement of sheets inside cylindrical tubes. However, this kind of formalism was derived to describe macroscopic systems. A natural question is whether this behavior still holds at nanoscale. In this work, we have investigated through molecular dynamics simulations the structural behavior of graphene and boron nitride single layers confined into nanotubes. Our results show that the class of universality observed at macroscale is no longer observed at nanoscale. The origin of this discrepancy is addressed in terms of the relative importance of forces and energies at macro and nano scales.},
keywords = {},
pubstate = {published},
tppubtype = {proceedings}
}
Recently, classical elasticity theory for thin sheets was used to demonstrate the existence of a universal structural behavior describing the confinement of sheets inside cylindrical tubes. However, this kind of formalism was derived to describe macroscopic systems. A natural question is whether this behavior still holds at nanoscale. In this work, we have investigated through molecular dynamics simulations the structural behavior of graphene and boron nitride single layers confined into nanotubes. Our results show that the class of universality observed at macroscale is no longer observed at nanoscale. The origin of this discrepancy is addressed in terms of the relative importance of forces and energies at macro and nano scales.
2014
2.
Brunetto, G; Galvao, DS
Graphene-like Membranes: From Impermeable to Selective Sieves Proceedings
Cambridge University Press, vol. 1658, 2014.
Abstract | Links | BibTeX | Tags: Graphene, Membranes, Porous Graphene, Sieves
@proceedings{brunetto2014graphene,
title = {Graphene-like Membranes: From Impermeable to Selective Sieves},
author = {Brunetto, G and Galvao, DS},
url = {http://journals.cambridge.org/action/displayAbstract?fromPage=online&aid=9248039&fileId=S1946427414004011},
year = {2014},
date = {2014-01-01},
journal = {MRS Proceedings},
volume = {1658},
pages = {mrsf13--1658},
publisher = {Cambridge University Press},
abstract = {Recently, it was proposed that graphene membranes could act as impermeable atomic
structures to standard gases. For some other applications, a higher level of porosity is needed,
and the so-called Porous Graphene (PG) and Biphenylene Carbon (BPC) membranes are good
candidates to effectively work as selective sieves. In this work we have used classical molecular
dynamics simulations to study the dynamics of membrane permeation of He and Ar atoms and
possible selectivity effects. For the graphene membranes we did not observe any leakage
through the membrane and/or membrane/substrate interface until a critical pressure limit, then a
sudden membrane detachment occurs. PG and BPC membranes are not impermeable as
graphene ones, but there are significant energy barriers to diffusion depending on the atom type.
Our results show that this kind of porous membranes can be effectively used as selective sieves
for pure and mixtures of gases.},
keywords = {Graphene, Membranes, Porous Graphene, Sieves},
pubstate = {published},
tppubtype = {proceedings}
}
Recently, it was proposed that graphene membranes could act as impermeable atomic
structures to standard gases. For some other applications, a higher level of porosity is needed,
and the so-called Porous Graphene (PG) and Biphenylene Carbon (BPC) membranes are good
candidates to effectively work as selective sieves. In this work we have used classical molecular
dynamics simulations to study the dynamics of membrane permeation of He and Ar atoms and
possible selectivity effects. For the graphene membranes we did not observe any leakage
through the membrane and/or membrane/substrate interface until a critical pressure limit, then a
sudden membrane detachment occurs. PG and BPC membranes are not impermeable as
graphene ones, but there are significant energy barriers to diffusion depending on the atom type.
Our results show that this kind of porous membranes can be effectively used as selective sieves
for pure and mixtures of gases.
structures to standard gases. For some other applications, a higher level of porosity is needed,
and the so-called Porous Graphene (PG) and Biphenylene Carbon (BPC) membranes are good
candidates to effectively work as selective sieves. In this work we have used classical molecular
dynamics simulations to study the dynamics of membrane permeation of He and Ar atoms and
possible selectivity effects. For the graphene membranes we did not observe any leakage
through the membrane and/or membrane/substrate interface until a critical pressure limit, then a
sudden membrane detachment occurs. PG and BPC membranes are not impermeable as
graphene ones, but there are significant energy barriers to diffusion depending on the atom type.
Our results show that this kind of porous membranes can be effectively used as selective sieves
for pure and mixtures of gases.
2012
1.
Perim, Eric; Fonseca, Alexandre F; Galvao, Douglas S
When Small is Different: The Case of Membranes Inside Tubes Proceedings
Cambridge University Press, vol. 1451, 2012.
Abstract | Links | BibTeX | Tags: Mechanical Properties, Membranes, Nanoscale Effects, Scrolls
@proceedings{perim2012small,
title = {When Small is Different: The Case of Membranes Inside Tubes},
author = {Perim, Eric and Fonseca, Alexandre F and Galvao, Douglas S},
url = {http://journals.cambridge.org/action/displayAbstract?fromPage=online&aid=8637821&fileId=S1946427412012523},
year = {2012},
date = {2012-01-01},
journal = {MRS Proceedings},
volume = {1451},
pages = {15--20},
publisher = {Cambridge University Press},
abstract = {Recently, classical elasticity theory for thin sheets was used to demonstrate the existence of a universal structural behavior describing the confinement of sheets inside cylindrical tubes. However, this kind of formalism was derived to describe macroscopic systems. A natural question is whether this behavior still holds at nanoscale. In this work, we have investigated through molecular dynamics simulations the structural behavior of graphene and boron nitride single layers confined into nanotubes. Our results show that the class of universality observed at macroscale is no longer observed at nanoscale. The origin of this discrepancy is addressed in terms of the relative importance of forces and energies at macro and nano scales.},
keywords = {Mechanical Properties, Membranes, Nanoscale Effects, Scrolls},
pubstate = {published},
tppubtype = {proceedings}
}
Recently, classical elasticity theory for thin sheets was used to demonstrate the existence of a universal structural behavior describing the confinement of sheets inside cylindrical tubes. However, this kind of formalism was derived to describe macroscopic systems. A natural question is whether this behavior still holds at nanoscale. In this work, we have investigated through molecular dynamics simulations the structural behavior of graphene and boron nitride single layers confined into nanotubes. Our results show that the class of universality observed at macroscale is no longer observed at nanoscale. The origin of this discrepancy is addressed in terms of the relative importance of forces and energies at macro and nano scales.
http://scholar.google.com/citations?hl=en&user=95SvbM8AAAAJ
