Publications

49 entries « 1 of 3 »
1.

Leonardo D. Machado Cristiano F. Woellner, Pedro A. S. Autreto

The Influence of Morphology on the Charge Transport in Two-Phase Disordered Organic Systems Journal Article

In: Mater. Res. Soc. Symp. Proc., 1737 , 2015.

Abstract | Links | BibTeX

2.

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

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

In: Mater. Res. Soc. Symp. Proc. , 1726 , 2015.

Abstract | Links | BibTeX

3.

Lagos, MJ; Autreto, PAS; Bettini, J; Sato, F; Dantas, SO; Galvao, DS; Ugarte, D

Surface effects on the mechanical elongation of AuCu nanowires: De-alloying and the formation of mixed suspended atomic chains Journal Article

In: Journal of Applied Physics, 117 (9), pp. 094301, 2015.

Abstract | Links | BibTeX

4.

Ozden, Sehmus; Autreto, Pedro AS; Tiwary, Chandra Sekhar; Khatiwada, Suman; Machado, Leonardo; Galvao, Douglas S; Vajtai, Robert; Barrera, Enrique V; M. Ajayan, Pulickel

Unzipping Carbon Nanotubes at High Impact Journal Article

In: Nano letters, 14 (7), pp. 4131–4137, 2014.

Abstract | Links | BibTeX

5.

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

Site-dependent hydrogenation on graphdiyne Journal Article

In: Carbon, 77 , pp. 829–834, 2014.

Abstract | Links | BibTeX

6.

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

In: Nature communications, 5 , 2014.

Abstract | Links | BibTeX

7.

Gao, Guanhui; Mathkar, Akshay; Martins, Eric Perim; Galv ao, Douglas S; Gao, Duyang; da Silva Autreto, Pedro Alves; Sun, Chengjun; Cai, Lintao; Ajayan, Pulickel M

Designing nanoscaled hybrids from atomic layered boron nitride with silver nanoparticle deposition Journal Article

In: Journal of Materials Chemistry A, 2 (9), pp. 3148–3154, 2014.

Abstract | Links | BibTeX

8.

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

In: The Journal of Physical Chemistry C, 118 (41), pp. 23670–23674, 2014.

Abstract | Links | BibTeX

9.

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

Mechanical properties and fracture dynamics of silicene membranes Journal Article

In: Phys. Chem. Chem. Phys., 16 , pp. 19417–19423, 2014.

Abstract | Links | BibTeX

10.

da Silva Autreto, Pedro Alves; Galvao, Douglas S; Artacho, Emilio

Species fractionation in atomic chains from mechanically stretched alloys Journal Article

In: Journal of Physics: Condensed Matter, 26 (43), pp. 435304, 2014.

Abstract | Links | BibTeX

11.

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

In: Nanotechnology, 24 (3), pp. 035706, 2013.

Abstract | Links | BibTeX

12.

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

Fracture Patterns of Boron Nitride Nanotubes Journal Article

In: MRS Proceedings, 1526 , pp. mrsf12–1526, 2013.

BibTeX

13.

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

On the Dynamics of Graphdiyne Hydrogenation Journal Article

In: MRS Proceedings, 1549 , pp. 59–64, 2013.

Abstract | Links | BibTeX

14.

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

The Hydrogenation Dynamics of h-BN Sheets Journal Article

In: MRS Proceedings, 1549 , pp. 91–98, 2013.

Abstract | Links | BibTeX

15.

Machado, LD; Autreto, PAS; Galvao, DS

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

In: MRS Proceedings, 1549 , pp. 53–58, 2013.

Abstract | Links | BibTeX

16.

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

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

In: Physical Chemistry Chemical Physics, 15 (44), pp. 19147–19150, 2013.

Abstract | BibTeX

17.

Autreto, Pedro Alves da Silva; Galvao, Douglas S; Artacho, Emilio

Species Fractionation in Atomic Chains from Mechanically Stretched Alloys Journal Article

In: arXiv preprint arXiv:1312.1285, 2013.

BibTeX

18.

Gao, Guanhui; Mathkar, Akshay; Martins, Eric Perim; Galv ao, Douglas S; Gao, Duyang; da Silva Autreto, Pedro Alves; Sun, Chengjun; Cai, Lintao; Ajayan, Pulickel M; others,

Novel one--step synthesis of silver nanoparticles on hexagonal boron nitride nanosheets with antibacterial effect Journal Article

In: 2013.

BibTeX

19.

Maureen J Lagos Pedro A Autreto, Daniel Ugarte

Correlation between Quantum Conductance and Atomic Arrangement of Silver Atomic-Size Nanocontacts Conference

Correlation between Quantum Conductance and Atomic Arrangement of Silver Atomic-Size Nanocontacts, (D1.3), MRSSpring 2012, 2012.

Abstract | Links | BibTeX

20.

Autreto, Pedro A

Correlation between Quantum Conductance and Atomic Arrangement of Silver Atomic-Size Nanocontacts Presentation

10.04.2012, (Work with Maureen J Lagos, Daniel Ugarte, Douglas S Galvao.).

Abstract | Links | BibTeX

49 entries « 1 of 3 »

2015

45.
The Influence of Morphology on the Charge Transport in Two-Phase Disordered Organic Systems

Leonardo D. Machado Cristiano F. Woellner, Pedro A. S. Autreto

The Influence of Morphology on the Charge Transport in Two-Phase Disordered Organic Systems Journal Article

In: Mater. Res. Soc. Symp. Proc., 1737 , 2015.

Abstract | Links | BibTeX | Tags: ab initio, conductance, nanowires

44.
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

In: Mater. Res. Soc. Symp. Proc. , 1726 , 2015.

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

43.
Surface effects on the mechanical elongation of AuCu nanowires: De-alloying and the formation of mixed suspended atomic chains

Lagos, MJ; Autreto, PAS; Bettini, J; Sato, F; Dantas, SO; Galvao, DS; Ugarte, D

Surface effects on the mechanical elongation of AuCu nanowires: De-alloying and the formation of mixed suspended atomic chains Journal Article

In: Journal of Applied Physics, 117 (9), pp. 094301, 2015.

Abstract | Links | BibTeX | Tags:

2014

42.
Unzipping Carbon Nanotubes at High Impact

Ozden, Sehmus; Autreto, Pedro AS; Tiwary, Chandra Sekhar; Khatiwada, Suman; Machado, Leonardo; Galvao, Douglas S; Vajtai, Robert; Barrera, Enrique V; M. Ajayan, Pulickel

Unzipping Carbon Nanotubes at High Impact Journal Article

In: Nano letters, 14 (7), pp. 4131–4137, 2014.

Abstract | Links | BibTeX | Tags: graphene, unzipping

41.
Site-dependent hydrogenation on graphdiyne

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

Site-dependent hydrogenation on graphdiyne Journal Article

In: Carbon, 77 , pp. 829–834, 2014.

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

40.
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

In: Nature communications, 5 , 2014.

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

39.
Designing nanoscaled hybrids from atomic layered boron nitride with silver nanoparticle deposition

Gao, Guanhui; Mathkar, Akshay; Martins, Eric Perim; Galv ao, Douglas S; Gao, Duyang; da Silva Autreto, Pedro Alves; Sun, Chengjun; Cai, Lintao; Ajayan, Pulickel M

Designing nanoscaled hybrids from atomic layered boron nitride with silver nanoparticle deposition Journal Article

In: Journal of Materials Chemistry A, 2 (9), pp. 3148–3154, 2014.

Abstract | Links | BibTeX | Tags: biology, boron nitride, graphene

38.
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

In: The Journal of Physical Chemistry C, 118 (41), pp. 23670–23674, 2014.

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

37.
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

In: Phys. Chem. Chem. Phys., 16 , pp. 19417–19423, 2014.

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

36.
Species fractionation in atomic chains from mechanically stretched alloys

da Silva Autreto, Pedro Alves; Galvao, Douglas S; Artacho, Emilio

Species fractionation in atomic chains from mechanically stretched alloys Journal Article

In: Journal of Physics: Condensed Matter, 26 (43), pp. 435304, 2014.

Abstract | Links | BibTeX | Tags: ab initio, alloys, nanowires

2013

35.
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

In: Nanotechnology, 24 (3), pp. 035706, 2013.

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

34.
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

In: MRS Proceedings, 1526 , pp. mrsf12–1526, 2013.

BibTeX | Tags: boron nitride, graphene, molecular dynamics

33.
On the Dynamics of Graphdiyne Hydrogenation

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

On the Dynamics of Graphdiyne Hydrogenation Journal Article

In: MRS Proceedings, 1549 , pp. 59–64, 2013.

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

32.
The Hydrogenation Dynamics of h-BN Sheets

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

The Hydrogenation Dynamics of h-BN Sheets Journal Article

In: MRS Proceedings, 1549 , pp. 91–98, 2013.

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

31.
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

In: MRS Proceedings, 1549 , pp. 53–58, 2013.

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

30.
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

In: Physical Chemistry Chemical Physics, 15 (44), pp. 19147–19150, 2013.

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

29.

Autreto, Pedro Alves da Silva; Galvao, Douglas S; Artacho, Emilio

Species Fractionation in Atomic Chains from Mechanically Stretched Alloys Journal Article

In: arXiv preprint arXiv:1312.1285, 2013.

BibTeX | Tags:

28.

Gao, Guanhui; Mathkar, Akshay; Martins, Eric Perim; Galv ao, Douglas S; Gao, Duyang; da Silva Autreto, Pedro Alves; Sun, Chengjun; Cai, Lintao; Ajayan, Pulickel M; others,

Novel one--step synthesis of silver nanoparticles on hexagonal boron nitride nanosheets with antibacterial effect Journal Article

In: 2013.

BibTeX | Tags:

2012

27.

Autreto, PAS; Galvao, Douglas S; Santos, Ricardo PB; Legoas, SB

Graphene to Fluorographene: A Reactive Molecular Dynamics Study Journal Article

In: Physicæ Proceedings, 1 (1), pp. 3, 2012.

BibTeX | Tags:

26.

Brunetto, Gustavo; Autreto, PAS; Machado, Leonardo Dantas; Santos, BI; dos Santos, Ricardo PB; Galvao, Douglas S

Nonzero gap two-dimensional carbon allotrope from porous graphene Journal Article

In: The Journal of Physical Chemistry C, 116 (23), pp. 12810–12813, 2012.

BibTeX | Tags:

25.

Lagos, MJ; Autreto, PAS; Galvao, DS; Ugarte, D

Correlation between Quantum Conductance and Atomic Arrangement of Silver Atomic-Size Nanowires Journal Article

In: arXiv preprint arXiv:1206.2551, 2012.

BibTeX | Tags:

24.

Lagos, MJ; Autreto, PAS; Galvao, DS; Ugarte, D

Correlation between quantum conductance and atomic arrangement of atomic-size silver nanowires Journal Article

In: Journal of Applied Physics, 111 (12), pp. 124316, 2012.

BibTeX | Tags:

23.

dos Santos, Ricardo P; Autreto, Pedro A; Perim, Eric; Brunetto, Gustavo; Galvao, Douglas S

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

In: MRS Proceedings, 1451 , pp. 3–8, 2012.

BibTeX | Tags:

22.

Dos Santos, RPB; Perim, E; Autreto, PAS; Brunetto, Gustavo; Galvao, DS

On the unzipping of multiwalled carbon nanotubes Journal Article

In: Nanotechnology, 23 (46), pp. 465702, 2012.

BibTeX | Tags:

21.

Autreto, Pedro A; Lagos, Maureen J; Ugarte, Daniel; Galvao, Douglas S

Correlation Between Quantum Conductance and Atomic Arrangement of Silver Atomic-Size Nanocontacts Journal Article

In: MRS Proceedings, 1429 , pp. mrss12–1429, 2012.

BibTeX | Tags:

2011

20.

Autreto, PAS; Lagos, MJ; Sato, F; Bettini, J; Rocha, AR; Rodrigues, V; Ugarte, D; Galvao, DS

Intrinsic Stability of the Smallest Possible Silver Nanotube Journal Article

In: Physical review letters, 106 (6), pp. 065501, 2011.

BibTeX | Tags:

19.

Autreto, PAS; Lagos, MJ; Sato, F; Bettini, J; Rocha, AR; Rodrigues, V; Ugarte, D; Galvao, DS

Intrinsic Stability of the Smallest Possible Silver Nanotube Journal Article

In: Physical review letters, 106 (6), pp. 065501, 2011.

BibTeX | Tags:

18.

Lagos, MJ; Autreto, PAS; Legoas, SB; Sato, F; Rodrigues, V; Galvao, DS; Ugarte, D

Temperature effects on the occurrence of long interatomic distances in atomic chains formed from stretched gold nanowires Journal Article

In: Nanotechnology, 22 (9), pp. 095705, 2011.

BibTeX | Tags:

17.

Autreto, Pedro AS; Flores, Marcelo Z; Legoas, Sergio B; Santos, Ricardo PB; Galvao, Douglas S

A Fully Atomistic Reactive Molecular Dynamics Study on the Formation of Graphane from Graphene Hydrogenated Membranes. Journal Article

In: MRS Proceedings, 1284 , pp. mrsf10–1284, 2011.

BibTeX | Tags:

16.

Autreto, PAS; Legoas, SB; Flores, MZS

An Ab initio investigation of carbon nanotubes with square cross-section Journal Article

In: Physicæ Proceedings, 1 (EJP 2010), pp. 10, 2011.

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15.

Santos, Ricardo PB; Autreto, Pedro AS; Legoas, Sergio B; Galvao, Douglas S

The Dynamics of Formation of Graphane-like Fluorinated Graphene Membranes (Fluorographene): A Reactive Molecular Dynamics Study Journal Article

In: MRS Proceedings, 1344 , pp. mrss11–1344, 2011.

BibTeX | Tags:

2010

14.

Autreto, PAS; Legoas, SB; Flores, MZS; Galvao, DS

Carbon nanotube with square cross-section: An ab initio investigation Journal Article

In: The Journal of chemical physics, 133 (12), pp. 124513, 2010.

BibTeX | Tags:

13.

Lagos, MJ; Sato, F; Autreto, PAS; Galvao, DS; Rodrigues, V; Ugarte, D

Temperature effects on the atomic arrangement and conductance of atomic-size gold nanowires generated by mechanical stretching Journal Article

In: Nanotechnology, 21 (48), pp. 485702, 2010.

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2009

12.

Flores, Marcelo ZS; Autreto, Pedro AS; Legoas, Sergio B; Galvao, Douglas S

Graphene to graphane: a theoretical study Journal Article

In: Nanotechnology, 20 (46), pp. 465704, 2009.

BibTeX | Tags:

11.

Flores, Marcelo ZS; Autreto, Pedro AS; Legoas, Sergio B; Galvao, Douglas S

Graphene to graphane: a theoretical study Journal Article

In: Nanotechnology, 20 (46), pp. 465704, 2009.

BibTeX | Tags:

10.

Legoas, Sergio B; Autreto, Pedro AS; Flores, Marcelo ZS; Galvao, Douglas S

Graphene to graphane: the role of H frustration in lattice contraction Journal Article

In: arXiv preprint arXiv:0903.0278, 2009.

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9.

Sato, Fernando; Lagos, Maureen; Autreto, Pedro; Ugarte, Daniel; Galv ao, Douglas

On the Lifetime of Suspended Atomic Chains Formed from Stretched Metallic Gold Nanowires Journal Article

In: Physicae, 8 (8), 2009.

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8.

MZS, Flores; PAS, Autreto

GRAPHENE TO GRAPHANE: A THEORETICAL STUDY Journal Article

In: Nanotechnology, 20 (46), 2009.

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7.

Torriani, IL; Silva, JC; Autreto, PAS; Galvao, DS; Caldas, MJ; Graeff, CFO

Low resolution structure of synthetic melanin aggregates in aqueous solutions and organic solvents Journal Article

In: 2009.

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2008

6.

Autreto, Pedro Alves da Silva; Lavarda, Francisco Carlos

Febrifugine derivative antimalarial activity: quantum mechanical predictors Journal Article

In: Revista do Instituto de Medicina Tropical de S~ao Paulo, 50 (1), pp. 21–24, 2008.

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5.

da Silva Autreto, Pedro Alves; Lavarda, Francisco Carlos

Descritores da atividade antimalarial de derivados de febrifugina obtidos via mec^anica q"u^antica Journal Article

In: Revista do Instituto de Medicina Tropical de S~ao Paulo, 50 (1), pp. 21–24, 2008.

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0000

4.

da Silva Autreto, Pedro Alves

From Metal to Carbon: Nanotubes with square cross-section Journal Article

In: 0000.

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3.

da Silva Autreto, Pedro Alves

On the Hydrogenation and Fluorination Processes of Graphene Membranes Journal Article

In: 0000.

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2.

da Silva Autreto, Pedro Alves

Graphyne Hydrogenation: A Fully Atomistic Molecular Dynamics Investigation Journal Article

In: 0000.

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1.

dos Santos, Ricardo PB

On the Formation of Graphane and Fluorographene: A Reactive Molecular Dynamics Study Journal Article

In: 0000.

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