Publicações

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1.

Autreto, Pedro A. S.; Galvao, Douglas S.

Site Dependent Hydrogenation in Graphynes: A Fully Atomistic Molecular Dynamics Investigation Journal Article

Em: Mater. Res. Soc. Symp. Proc. , vol. 1726 , 2015.

Resumo | Links | BibTeX

2.

Autreto, PAS; de Sousa, JM; Galvao, DS

Site-dependent hydrogenation on graphdiyne Journal Article

Em: Carbon, vol. 77, pp. 829–834, 2014.

Resumo | Links | BibTeX

3.

Perim, E; Autreto, PAS; Paupitz, R; Galvao, DS

Dynamical aspects of the unzipping of multiwalled boron nitride nanotubes Journal Article

Em: Physical Chemistry Chemical Physics, vol. 15, não 44, pp. 19147–19150, 2013.

Resumo | BibTeX

4.

Paupitz, R; Autreto, Pedro AS; Legoas, SB; Srinivasan, S Goverapet; van Duin, Adri CT; Galvao, DS

Graphene to fluorographene and fluorographane: a theoretical study Journal Article

Em: Nanotechnology, vol. 24, não 3, pp. 035706, 2013.

Resumo | Links | BibTeX

5.

Autreto, PA; de Sousa, JM; Galvao, DS

On the Dynamics of Graphdiyne Hydrogenation Journal Article

Em: MRS Proceedings, vol. 1549, pp. 59–64, 2013.

Resumo | Links | BibTeX

6.

Perim, Eric; Paupitz, Ricardo; Autreto, PAS; Galvao, DS

The Hydrogenation Dynamics of h-BN Sheets Journal Article

Em: MRS Proceedings, vol. 1549, pp. 91–98, 2013.

Resumo | Links | BibTeX

7.

Pedro A Autreto Ricardo P dos Santos, Eric Perim

On the Unzipping Mechanisms of Carbon Nanotubes: Insights from Reactive Molecular Dynamics Simulations Conferência

On the Unzipping Mechanisms of Carbon Nanotubes: Insights from Reactive Molecular Dynamics Simulations, não DD1.4, MRSSpring 2012, 2012.

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2015

6.
Site Dependent Hydrogenation in Graphynes: A Fully Atomistic Molecular Dynamics Investigation

Autreto, Pedro A. S.; Galvao, Douglas S.

Site Dependent Hydrogenation in Graphynes: A Fully Atomistic Molecular Dynamics Investigation Journal Article

Em: Mater. Res. Soc. Symp. Proc. , vol. 1726 , 2015.

Resumo | Links | BibTeX | Tags: graphyne, molecular dynamics, reaxFF

2014

5.
Site-dependent hydrogenation on graphdiyne

Autreto, PAS; de Sousa, JM; Galvao, DS

Site-dependent hydrogenation on graphdiyne Journal Article

Em: Carbon, vol. 77, pp. 829–834, 2014.

Resumo | Links | BibTeX | Tags: graphdiynes, graphynes, molecular dynamics, reaxFF

2013

4.
Dynamical aspects of the unzipping of multiwalled boron nitride nanotubes

Perim, E; Autreto, PAS; Paupitz, R; Galvao, DS

Dynamical aspects of the unzipping of multiwalled boron nitride nanotubes Journal Article

Em: Physical Chemistry Chemical Physics, vol. 15, não 44, pp. 19147–19150, 2013.

Resumo | BibTeX | Tags: boron nitride, molecular dynamics, reaxFF

3.
Graphene to fluorographene and fluorographane: a theoretical study

Paupitz, R; Autreto, Pedro AS; Legoas, SB; Srinivasan, S Goverapet; van Duin, Adri CT; Galvao, DS

Graphene to fluorographene and fluorographane: a theoretical study Journal Article

Em: Nanotechnology, vol. 24, não 3, pp. 035706, 2013.

Resumo | Links | BibTeX | Tags: fluorographane, fluorographene, graphene, molecular dynamics, reaxFF

2.
On the Dynamics of Graphdiyne Hydrogenation

Autreto, PA; de Sousa, JM; Galvao, DS

On the Dynamics of Graphdiyne Hydrogenation Journal Article

Em: MRS Proceedings, vol. 1549, pp. 59–64, 2013.

Resumo | Links | BibTeX | Tags: graphynes, molecular dynamics, reaxFF

1.
The Hydrogenation Dynamics of h-BN Sheets

Perim, Eric; Paupitz, Ricardo; Autreto, PAS; Galvao, DS

The Hydrogenation Dynamics of h-BN Sheets Journal Article

Em: MRS Proceedings, vol. 1549, pp. 91–98, 2013.

Resumo | Links | BibTeX | Tags: boron nitride, molecular dynamics, reaxFF

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