Publicações

Mostrar todos

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.

Perim Martins, Eric; Paupitz, Ricardo; Autreto, Pedro Alves da Silva; Galvao, Douglas Soares

Inorganic Graphenylene: A Porous Two-Dimensional Material with Tunable Band Gap Journal Article

Em: The Journal of Physical Chemistry C, vol. 118, não 41, pp. 23670–23674, 2014.

Resumo | Links | BibTeX

3.

E. Perim T. Botari, P. A. S. Autreto

Mechanical properties and fracture dynamics of silicene membranes Journal Article

Em: Phys. Chem. Chem. Phys., vol. 16, pp. 19417–19423, 2014.

Resumo | Links | BibTeX

4.

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

5.

Vinod, Soumya; Tiwary, Chandra Sekhar; da Silva Autreto, Pedro Alves; Taha-Tijerina, Jaime; Ozden, Sehmus; Chipara, Alin Cristian; Vajtai, Robert; Galvao, Douglas S; Narayanan, Tharangattu N; Ajayan, Pulickel M

Low-density three-dimensional foam using self-reinforced hybrid two-dimensional atomic layers Journal Article

Em: Nature communications, vol. 5, 2014.

Resumo | Links | BibTeX

6.

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

7.

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

8.

Perim, Eric; Santos, Ricardo Paupitz; Autreto, Pedro Alves da Silva; Galvao, Douglas S

Fracture Patterns of Boron Nitride Nanotubes Journal Article

Em: MRS Proceedings, vol. 1526, pp. mrsf12–1526, 2013.

BibTeX

9.

Machado, LD; Autreto, PAS; Galvao, DS

Graphyne Oxidation: Insights From a Reactive Molecular Dynamics Investigation Journal Article

Em: MRS Proceedings, vol. 1549, pp. 53–58, 2013.

Resumo | Links | BibTeX

10.

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

11.

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

Mostrar todos

2015

11.
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

10.
Inorganic Graphenylene: A Porous Two-Dimensional Material with Tunable Band Gap

Perim Martins, Eric; Paupitz, Ricardo; Autreto, Pedro Alves da Silva; Galvao, Douglas Soares

Inorganic Graphenylene: A Porous Two-Dimensional Material with Tunable Band Gap Journal Article

Em: The Journal of Physical Chemistry C, vol. 118, não 41, pp. 23670–23674, 2014.

Resumo | Links | BibTeX | Tags: boron nitride, molecular dynamics, porous graphene

9.
Mechanical properties and fracture dynamics of silicene membranes

E. Perim T. Botari, P. A. S. Autreto

Mechanical properties and fracture dynamics of silicene membranes Journal Article

Em: Phys. Chem. Chem. Phys., vol. 16, pp. 19417–19423, 2014.

Resumo | Links | BibTeX | Tags: mechanical properties, molecular dynamics, silicene

8.
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

7.
Low-density three-dimensional foam using self-reinforced hybrid two-dimensional atomic layers

Vinod, Soumya; Tiwary, Chandra Sekhar; da Silva Autreto, Pedro Alves; Taha-Tijerina, Jaime; Ozden, Sehmus; Chipara, Alin Cristian; Vajtai, Robert; Galvao, Douglas S; Narayanan, Tharangattu N; Ajayan, Pulickel M

Low-density three-dimensional foam using self-reinforced hybrid two-dimensional atomic layers Journal Article

Em: Nature communications, vol. 5, 2014.

Resumo | Links | BibTeX | Tags: boron nitride, foams, graphene, molecular dynamics

2013

6.
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

5.
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

4.
Fracture Patterns of Boron Nitride Nanotubes

Perim, Eric; Santos, Ricardo Paupitz; Autreto, Pedro Alves da Silva; Galvao, Douglas S

Fracture Patterns of Boron Nitride Nanotubes Journal Article

Em: MRS Proceedings, vol. 1526, pp. mrsf12–1526, 2013.

BibTeX | Tags: boron nitride, graphene, molecular dynamics

3.
Graphyne Oxidation: Insights From a Reactive Molecular Dynamics Investigation

Machado, LD; Autreto, PAS; Galvao, DS

Graphyne Oxidation: Insights From a Reactive Molecular Dynamics Investigation Journal Article

Em: MRS Proceedings, vol. 1549, pp. 53–58, 2013.

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

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

Deixe um comentário