Publications

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49 entries « 1 of 3 »
1.

Fonseca, AF; Dantas, SO; Galvao, DS; Zhang, D; Sinnott, SB

The Structure of Graphene on Graphene/C60/Cu Interfaces: A Molecular Dynamics Study (under review) Journal Article

In: 2019.

BibTeX

2.

AF; Dantas Fonseca, SO; Galvao

The Structure of Graphene on Graphene/C60/Cu Interfaces: A Molecular Dynamics Study Online

2019, (ArXiv preprint).

Abstract | Links | BibTeX

3.

AF; Dantas Fonseca, SO; Galvao

The Structure of Graphene on Graphene/C60/Cu Interfaces: A Molecular Dynamics Study (under review) Journal Article

In: 2019.

BibTeX

4.

Jaques, Ygor M.; Galvao, Douglas S.

Structural Properties of Nanodroplets Impacting Graphene at High Velocities (accepted) Journal Article

In: Journal of Molecular Liquids, 2019.

Abstract | BibTeX

5.

Fonseca, Alexandre F.; Galvao, Douglas S.

Self-tearing and self-peeling of folded graphene nanoribbons Journal Article

In: Carbon, vol. 143, pp. 230-239, 2019.

Abstract | Links | BibTeX

6.

Bizao, Rafael A; Machado, Leonardo D; de Sousa, Jose M; Pugno, Nicola M; Galvao, Douglas S

Scale Effects on the Ballistic Penetration of Graphene Sheets Journal Article

In: Nature Scientific Reports, vol. 8, pp. 6750, 2018.

Abstract | Links | BibTeX

7.

Ygor M.; Galvao Jaques, Douglas S.

Structural Properties of Nanodroplets Impacting Graphene at High Velocities Online

2018, (Preprint ArXiv:1804.07784).

Abstract | Links | BibTeX

8.

Devi, M. Manolata; Dolai, N.; S, S. Sreehala; Jaques, Y. M.; Galvao, Douglas S.; C.S.Tiwary,; Sharma, Sudhanshu; Biswas, Krishanu

Morphology Controlled Graphene-Alloy Nanoparticles Hybrids with Tunable Catalytic Activity Journal Article

In: Nanoscale, vol. 10, pp. 8840-8850, 2018.

Abstract | Links | BibTeX

9.

Kabbani, Mohamad A.; Kochat, Vidya; Bhowmick, Sanjit; Soto, Matias; Som, Anirban; Krishnadas, K. R.; Woellner, Cristiano F.; Jaques, Ygor M.; Barrera, Enrique V.; Asif, Syed; Vajtai, Robert; Pradeep, Thalappil; Galvão, Douglas S.; Kabbani, Ahmad T.; Tiwary, Chandra Sekhar; Ajayan, Pulickel M.

Consolidation of Functionalized Graphene at Ambient Temperature via Mechano-chemistry Journal Article

In: Carbon, vol. 134, no. 8, pp. 491-499, 2018.

Abstract | Links | BibTeX

10.

Borges, Daiane Damasceno; Woellner, Cristiano F.; Autreto, Pedro A. S.; Galvao, Douglas S.

Water/alcohol separation via layered oxide graphene membranes Journal Article

In: MRS Advances, vol. 3, no. 1-2, pp. 109-114, 2018.

Abstract | Links | BibTeX

11.

Cristiano F Woellner Daiane Damasceno Borges, Pedro AS Autreto

Insights on the mechanism of water-alcohol separation in multilayer graphene oxide membranes: entropic versus enthalpic factors Journal Article

In: Carbon, vol. 127, pp. 280-286, 2018.

Abstract | Links | BibTeX

12.

Fonseca, Alexandre F.; Galvao, Douglas S.

Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation Journal Article

In: MRS Advances, vol. 3, no. 8-9, pp. 460-465, 2018.

Abstract | Links | BibTeX

13.

Fonseca, Alexandre F.; Galvao, Douglas S.

Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation Online

2018, (preprint arXiv:1801.05354).

Abstract | Links | BibTeX

14.

Oliveira, Eliezer Fernando; Santos, Ricardo Paupitz; da Silva Autreto, Pedro Alves; Stanislav Moshkalev,; Galvao, Douglas Soares

Improving Graphene-metal Contacts: Thermal Induced Polishing Online

2018, (preprint ArXiv:1801.04785).

Abstract | Links | BibTeX

15.

Oliveira, Eliezer Fernando; Paupitz, Ricardo; da Silva Autreto, Pedro Alves; Moshkalev, Stanislav; Galvao, Douglas Soares

Improving Graphene-metal Contacts: Thermal Induced Polishing Journal Article

In: MRS Advances, vol. 3, no. 1-2, pp. 73-78, 2018.

Abstract | Links | BibTeX

16.

Miyazaki, Celina M; Maria, Marco AE; Borges, Daiane Damasceno; Woellner, Cristiano F; Brunetto, Gustavo; Fonseca, Alexandre F; Constantino, Carlos JL; Pereira-da-Silva, Marcelo A; de Siervo, Abner; Galvao, Douglas S; Riul Jr., Antonio

Synthesis, characterization and computational simulation of graphene nanoplatelets stabilized in poly (styrene sulfonate) sodium salt Online

2017, (preprint arXiv:1702.00250).

Abstract | Links | BibTeX

17.

Bizao, Rafael A; Botari, Tiago; Perim, Eric; Pugno, Nicola M; Galvao, Douglas S

Mechanical properties and fracture patterns of graphene (graphitic) nanowiggles Journal Article

In: Carbon, vol. 119, pp. 431-437, 2017, (See also ArxIv version: https://arxiv.org/abs/1702.01100).

Abstract | Links | BibTeX

18.

Splugues, Vinicius; da Silva Autreto, Pedro Alves; Galvao, Douglas S

Hydrogenation Dynamics of Biphenylene Carbon (Graphenylene) Membranes Journal Article

In: MRS Advances, vol. 2017, pp. 1-6, 2017.

Abstract | Links | BibTeX

19.

Bizao, Rafael A; Botari, Tiago; Perim, Eric; Pugno, Nicola M; Galvao, Douglas S

Mechanical Properties and Fracture Patterns of Graphene (Graphitic) Nanowiggles Online

2017, (preprint arXiv:1702.01100).

Abstract | Links | BibTeX

20.

Borges, Daiane D; Woellner, Cristiano F; Autreto, Pedro AS; Galvao, Douglas S

Water Permeation through Layered Graphene-based Membranes: A Fully Atomistic Molecular Dynamics Investigation Online

2017, (preprint arXiv:1702.00250).

Abstract | Links | BibTeX

49 entries « 1 of 3 »

Show all

2019

49.

Fonseca, AF; Dantas, SO; Galvao, DS; Zhang, D; Sinnott, SB

The Structure of Graphene on Graphene/C60/Cu Interfaces: A Molecular Dynamics Study (under review) Journal Article

In: 2019.

BibTeX | Tags: C60, Graphene, Molecular Dynamics

48.
The Structure of Graphene on Graphene/C60/Cu Interfaces: A Molecular Dynamics Study

AF; Dantas Fonseca, SO; Galvao

The Structure of Graphene on Graphene/C60/Cu Interfaces: A Molecular Dynamics Study Online

2019, (ArXiv preprint).

Abstract | Links | BibTeX | Tags: C60, Graphene, Molecular Dynamics

47.

AF; Dantas Fonseca, SO; Galvao

The Structure of Graphene on Graphene/C60/Cu Interfaces: A Molecular Dynamics Study (under review) Journal Article

In: 2019.

BibTeX | Tags: C60, Graphene, Molecular Dynamics

46.
Structural Properties of Nanodroplets Impacting Graphene at High Velocities (accepted)

Jaques, Ygor M.; Galvao, Douglas S.

Structural Properties of Nanodroplets Impacting Graphene at High Velocities (accepted) Journal Article

In: Journal of Molecular Liquids, 2019.

Abstract | BibTeX | Tags: droplets, Graphene, Impact Molecular Dynamics, water

45.
Self-tearing and self-peeling of folded graphene nanoribbons

Fonseca, Alexandre F.; Galvao, Douglas S.

Self-tearing and self-peeling of folded graphene nanoribbons Journal Article

In: Carbon, vol. 143, pp. 230-239, 2019.

Abstract | Links | BibTeX | Tags: Fracture, Graphene, Mechanical Properties, Molecular Dynamics

2018

44.
Scale Effects on the Ballistic Penetration of Graphene Sheets

Bizao, Rafael A; Machado, Leonardo D; de Sousa, Jose M; Pugno, Nicola M; Galvao, Douglas S

Scale Effects on the Ballistic Penetration of Graphene Sheets Journal Article

In: Nature Scientific Reports, vol. 8, pp. 6750, 2018.

Abstract | Links | BibTeX | Tags: Fracture, Graphene, impact, Molecular Dynamics

43.
Structural Properties of Nanodroplets Impacting Graphene at High Velocities

Ygor M.; Galvao Jaques, Douglas S.

Structural Properties of Nanodroplets Impacting Graphene at High Velocities Online

2018, (Preprint ArXiv:1804.07784).

Abstract | Links | BibTeX | Tags: droplets, Graphene, Impact Molecular Dynamics, water

42.
Morphology Controlled Graphene-Alloy Nanoparticles Hybrids with Tunable Catalytic Activity

Devi, M. Manolata; Dolai, N.; S, S. Sreehala; Jaques, Y. M.; Galvao, Douglas S.; C.S.Tiwary,; Sharma, Sudhanshu; Biswas, Krishanu

Morphology Controlled Graphene-Alloy Nanoparticles Hybrids with Tunable Catalytic Activity Journal Article

In: Nanoscale, vol. 10, pp. 8840-8850, 2018.

Abstract | Links | BibTeX | Tags: alloys, Graphene, Modeling, Nanoparticles

41.
Consolidation of Functionalized Graphene at Ambient Temperature via Mechano-chemistry

Kabbani, Mohamad A.; Kochat, Vidya; Bhowmick, Sanjit; Soto, Matias; Som, Anirban; Krishnadas, K. R.; Woellner, Cristiano F.; Jaques, Ygor M.; Barrera, Enrique V.; Asif, Syed; Vajtai, Robert; Pradeep, Thalappil; Galvão, Douglas S.; Kabbani, Ahmad T.; Tiwary, Chandra Sekhar; Ajayan, Pulickel M.

Consolidation of Functionalized Graphene at Ambient Temperature via Mechano-chemistry Journal Article

In: Carbon, vol. 134, no. 8, pp. 491-499, 2018.

Abstract | Links | BibTeX | Tags: DFT, Graphene, Mechanochemistry, Molecular Dynamics

40.
Water/alcohol separation via layered oxide graphene membranes

Borges, Daiane Damasceno; Woellner, Cristiano F.; Autreto, Pedro A. S.; Galvao, Douglas S.

Water/alcohol separation via layered oxide graphene membranes Journal Article

In: MRS Advances, vol. 3, no. 1-2, pp. 109-114, 2018.

Abstract | Links | BibTeX | Tags: Filtration, Graphene, Molecular Dynamics

39.
Insights on the mechanism of water-alcohol separation in multilayer graphene oxide membranes: entropic versus enthalpic factors

Cristiano F Woellner Daiane Damasceno Borges, Pedro AS Autreto

Insights on the mechanism of water-alcohol separation in multilayer graphene oxide membranes: entropic versus enthalpic factors Journal Article

In: Carbon, vol. 127, pp. 280-286, 2018.

Abstract | Links | BibTeX | Tags: Filtration, Graphene, Molecular Dynamics

38.
Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation

Fonseca, Alexandre F.; Galvao, Douglas S.

Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation Journal Article

In: MRS Advances, vol. 3, no. 8-9, pp. 460-465, 2018.

Abstract | Links | BibTeX | Tags: Fracture, Graphene, Molecular Dynamics

37.
Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation

Fonseca, Alexandre F.; Galvao, Douglas S.

Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation Online

2018, (preprint arXiv:1801.05354).

Abstract | Links | BibTeX | Tags: Fracture, Graphene, Molecular Dynamics

36.
Improving Graphene-metal Contacts: Thermal Induced Polishing

Oliveira, Eliezer Fernando; Santos, Ricardo Paupitz; da Silva Autreto, Pedro Alves; Stanislav Moshkalev,; Galvao, Douglas Soares

Improving Graphene-metal Contacts: Thermal Induced Polishing Online

2018, (preprint ArXiv:1801.04785).

Abstract | Links | BibTeX | Tags: contacts, Graphene, Molecular Dynamics, thermal properties

35.
Improving Graphene-metal Contacts: Thermal Induced Polishing

Oliveira, Eliezer Fernando; Paupitz, Ricardo; da Silva Autreto, Pedro Alves; Moshkalev, Stanislav; Galvao, Douglas Soares

Improving Graphene-metal Contacts: Thermal Induced Polishing Journal Article

In: MRS Advances, vol. 3, no. 1-2, pp. 73-78, 2018.

Abstract | Links | BibTeX | Tags: contacts, Graphene, Molecular Dynamics, thermal properties

2017

34.
Synthesis, characterization and computational simulation of graphene nanoplatelets stabilized in poly (styrene sulfonate) sodium salt

Miyazaki, Celina M; Maria, Marco AE; Borges, Daiane Damasceno; Woellner, Cristiano F; Brunetto, Gustavo; Fonseca, Alexandre F; Constantino, Carlos JL; Pereira-da-Silva, Marcelo A; de Siervo, Abner; Galvao, Douglas S; Riul Jr., Antonio

Synthesis, characterization and computational simulation of graphene nanoplatelets stabilized in poly (styrene sulfonate) sodium salt Online

2017, (preprint arXiv:1702.00250).

Abstract | Links | BibTeX | Tags: Graphene, Molecular Dynamics, Polymers

33.
Mechanical properties and fracture patterns of graphene (graphitic) nanowiggles

Bizao, Rafael A; Botari, Tiago; Perim, Eric; Pugno, Nicola M; Galvao, Douglas S

Mechanical properties and fracture patterns of graphene (graphitic) nanowiggles Journal Article

In: Carbon, vol. 119, pp. 431-437, 2017, (See also ArxIv version: https://arxiv.org/abs/1702.01100).

Abstract | Links | BibTeX | Tags: Graphene, Molecular Dynamics, NanoRibbons, Nanowiggles

32.
Hydrogenation Dynamics of Biphenylene Carbon (Graphenylene) Membranes

Splugues, Vinicius; da Silva Autreto, Pedro Alves; Galvao, Douglas S

Hydrogenation Dynamics of Biphenylene Carbon (Graphenylene) Membranes Journal Article

In: MRS Advances, vol. 2017, pp. 1-6, 2017.

Abstract | Links | BibTeX | Tags: Graphene, Hydrogenation, Molecular Dynamics

31.
Mechanical Properties and Fracture Patterns of Graphene (Graphitic) Nanowiggles

Bizao, Rafael A; Botari, Tiago; Perim, Eric; Pugno, Nicola M; Galvao, Douglas S

Mechanical Properties and Fracture Patterns of Graphene (Graphitic) Nanowiggles Online

2017, (preprint arXiv:1702.01100).

Abstract | Links | BibTeX | Tags: Graphene, Mechanical Properties, Molecular Dynamics, Nanowiggles

30.
Water Permeation through Layered Graphene-based Membranes: A Fully Atomistic Molecular Dynamics Investigation

Borges, Daiane D; Woellner, Cristiano F; Autreto, Pedro AS; Galvao, Douglas S

Water Permeation through Layered Graphene-based Membranes: A Fully Atomistic Molecular Dynamics Investigation Online

2017, (preprint arXiv:1702.00250).

Abstract | Links | BibTeX | Tags: Graphene, Molecular Dynamics, water

29.
Scale Effects on the Ballistic Penetration of Graphene Sheets

Bizao, Rafael A; Machado, Leonardo D; de Sousa, Jose M; Pugno, Nicola M; Galvao, Douglas S

Scale Effects on the Ballistic Penetration of Graphene Sheets Online

2017, (preprint arXiv:1701.07367).

Abstract | Links | BibTeX | Tags: ballistic impacts, Fracture, Graphene, Molecular Dynamics

2016

28.
3D Porous Graphene by Low-Temperature Plasma Welding for Bone Implants

Chandra Sekhar Tiwary Dibyendu Chakravarty, Cristano F Woellner

3D Porous Graphene by Low-Temperature Plasma Welding for Bone Implants Journal Article

In: Advanced Materials, vol. 28, no. 40, pp. 8959-8967, 2016.

Abstract | Links | BibTeX | Tags: Graphene, Molecular Dynamics, Plasma Welding

27.
Giant and Tunable Anisotropy of Nanoscale Friction in Graphene

Rodrigo Prioli Clara M Almeida, Benjamin Fragneaud

Giant and Tunable Anisotropy of Nanoscale Friction in Graphene Journal Article

In: Nature Scientific Reports, vol. 6, pp. 31569, 2016.

Abstract | Links | BibTeX | Tags: DFT, Graphene, Molecular Dynamics, Tribology

26.
Graphone (one-side hydrogenated graphene) formation on different substrates

Pedro Alves da Silva Autreto Cristiano Francisco Woellner, Douglas S Galvao

Graphone (one-side hydrogenated graphene) formation on different substrates Online

2016.

Abstract | Links | BibTeX | Tags: Graphene, graphone, Molecular Dynamics

25.
Graphene healing mechanisms: A theoretical investigation

Botari, Tiago; Paupitz, Ricardo; da Silva Autreto, Pedro Alves; Galvao, Douglas S

Graphene healing mechanisms: A theoretical investigation Journal Article

In: Carbon, vol. 99, pp. 302-309, 2016.

Abstract | Links | BibTeX | Tags: Graphene, healing, Molecular Dynamics

24.
Nanodroplets Impacting on Graphene

Ygor M. Jaques, Gustavo Brunetto; Galvão, Douglas S.

Nanodroplets Impacting on Graphene Journal Article

In: MRS Advances, vol. 2016, 2016.

Abstract | Links | BibTeX | Tags: Graphene, Impact Molecular Dynamics, nanodroplet

23.
One Side-Graphene Hydrogenation (Graphone): Substrate Effects

Pedro Alves da Silva Autreto Cristiano Francisco Woellner, Douglas S. Galvao

One Side-Graphene Hydrogenation (Graphone): Substrate Effects Journal Article

In: MRS Advances, vol. 2016, 2016.

Abstract | Links | BibTeX | Tags: Graphane, Graphene, graphone, Molecular Dynamics

22.
Nanodroplets Impacting on Graphene

Jaques, Ygor M.; Brunetto, Gustavo; Galvao, Douglas S.

Nanodroplets Impacting on Graphene Online

2016, ((ArXiv preprint)).

Abstract | Links | BibTeX | Tags: Droplet, Graphene, Molecular Dynamics

21.
One Side-Graphene Hydrogenation (Graphone): Substrate Effects

Woellner, Cristiano Francisco; Autreto, Pedro Alves da Silva; Galvao, Douglas S

One Side-Graphene Hydrogenation (Graphone): Substrate Effects Online

2016, visited: 18.01.2016, ((ArXiv preprint)).

Abstract | Links | BibTeX | Tags: Graphane, Graphene, graphone, Molecular Dynamics

2015

20.
Burning Graphene Layer-by-Layer

Andrei V Alaferdov Victor A Ermakov, Alfredo R Vaz

Burning Graphene Layer-by-Layer Journal Article

In: Nature Scientific Reports, vol. 5, pp. 11546, 2015.

Abstract | Links | BibTeX | Tags: Burning, Graphene, Molecular Dynamics, TEM

2014

19.
Violation of the universal behavior of membranes inside cylindrical tubes at nanoscale

Perim, E; Fonseca, AF; Pugno, NM; Galvao, DS

Violation of the universal behavior of membranes inside cylindrical tubes at nanoscale Journal Article

In: EPL (Europhysics Letters), vol. 105, no. 5, pp. 56002, 2014.

Abstract | Links | BibTeX | Tags: Graphene, Nanoscale Effects, Scrolls

18.
Mechanical properties and fracture dynamics of silicene membranes

Botari, T; Perim, E; Autreto, PAS; van Duin, ACT; Paupitz, R; Galvao, DS

Mechanical properties and fracture dynamics of silicene membranes Journal Article

In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 16, no. 36, pp. 19417–19423, 2014.

Abstract | Links | BibTeX | Tags: Fracture, Germanene, Graphene, Mechanical Properties, Silicene

17.
Site-dependent hydrogenation on graphdiyne

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

Site-dependent hydrogenation on graphdiyne Journal Article

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

Abstract | Links | BibTeX | Tags: Functionalization, Graphdyine, Graphene, Graphynes

16.
Mechanical Properties of Graphene Nanowiggles

Bizao, RA; Botari, T; Galvao, DS

Mechanical Properties of Graphene Nanowiggles Proceedings

Cambridge University Press, vol. 1658, 2014.

Abstract | Links | BibTeX | Tags: Graphene, Molecular Dynamics, NanoRibbons, Nanowiggles

15.
Graphene-like Membranes: From Impermeable to Selective Sieves

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

14.
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, vol. 5, 2014.

Links | BibTeX | Tags: foams, Fracture, Graphene, Mechanical Properties, top20

2013

13.
Controlled route to the fabrication of carbon and boron nitride nanoscrolls: A molecular dynamics investigation

Perim, Eric; Paupitz, Ricardo; Galvao, Douglas S

Controlled route to the fabrication of carbon and boron nitride nanoscrolls: A molecular dynamics investigation Journal Article

In: Journal of Applied Physics, vol. 113, no. 5, pp. 054306, 2013.

Abstract | Links | BibTeX | Tags: Boron Nitride, Carbon Nanotubes, Graphene, Molecular Dynamics, Scrolls

12.
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, vol. 24, no. 3, pp. 035706, 2013.

Abstract | Links | BibTeX | Tags: Fluorographene, Graphane, Graphene

2012

11.
Graphene to Fluorographene: A Reactive Molecular Dynamics Study

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

Graphene to Fluorographene: A Reactive Molecular Dynamics Study Journal Article

In: Physicæ Proceedings, vol. 1, no. 1, pp. 3, 2012.

Abstract | Links | BibTeX | Tags: Graphanes, Graphene, Molecular Dynamics

10.
Nonzero gap two-dimensional carbon allotrope from porous graphene

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, vol. 116, no. 23, pp. 12810–12813, 2012.

Abstract | Links | BibTeX | Tags: BPC, DFT, Graphene, Porous Graphene

9.
Tribological Properties of Graphene and Boron-Nitride Layers: A Fully Atomistic Molecular Dynamics Study

dos Santos, Ricardo P; Machado, Leonardo D; Legoas, Sergio B; Galvao, Douglas S

Tribological Properties of Graphene and Boron-Nitride Layers: A Fully Atomistic Molecular Dynamics Study Proceedings

Cambridge University Press, vol. 1407, 2012.

Abstract | Links | BibTeX | Tags: Boron Nitride, Graphene, Molecular Dynamics, Tribology

2011

8.
A Fully Atomistic Reactive Molecular Dynamics Study on the Formation of Graphane from Graphene Hydrogenated Membranes.

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. Proceedings

Cambridge University Press, vol. 1284, 2011.

Abstract | Links | BibTeX | Tags: Graphane, Graphene, Hydrogenation, Molecular Dynamics

7.
The Dynamics of Formation of Graphane-like Fluorinated Graphene Membranes (Fluorographene): A Reactive Molecular Dynamics Study

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 Proceedings

Cambridge University Press, vol. 1344, 2011.

Abstract | Links | BibTeX | Tags: Fluorographene, Functionalization, Graphane, Graphene

6.
Tuning Electronic and Structural Properties of Triple Layers of Intercalated Graphene and Hexagonal Boron Nitride: An Ab-initio Study.

Coutinho, Samir S; Azevedo, David L; Galvao, Douglas S

Tuning Electronic and Structural Properties of Triple Layers of Intercalated Graphene and Hexagonal Boron Nitride: An Ab-initio Study. Journal Article

In: MRS Proceedings, vol. 1307, pp. mrsf10–1307, 2011.

Abstract | Links | BibTeX | Tags: BN, DFT, Graphene, Heterostructures

2010

5.
Curved graphene nanoribbons: structure and dynamics of carbon nanobelts

Martins, BVC; Galvao, DS

Curved graphene nanoribbons: structure and dynamics of carbon nanobelts Journal Article

In: Nanotechnology, vol. 21, no. 7, pp. 075710, 2010.

Abstract | Links | BibTeX | Tags: Folding, Graphene, Mechanical Properties, Nanobelts, NanoRibbons

2009

4.
Graphene to graphane: a theoretical study

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

Graphene to graphane: a theoretical study Journal Article

In: Nanotechnology, vol. 20, no. 46, pp. 465704, 2009.

Abstract | Links | BibTeX | Tags: Functionalization, Graphanes, Graphene, Hydrogenation

3.
Graphene to graphane: the role of H frustration in lattice contraction

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.

Abstract | Links | BibTeX | Tags: Functionalization, Graphane, Graphene, Hydrogenation

2.
Mobius and twisted graphene nanoribbons: stability, geometry and electronic properties

Caetano, Ewerton WS; Freire, Valder N; Santos, Sergio G dos; Galvao, Douglas S; Sato, Fernando

Mobius and twisted graphene nanoribbons: stability, geometry and electronic properties Journal Article

In: arXiv preprint arXiv:0903.2080, 2009.

Abstract | Links | BibTeX | Tags: Graphene, Mobius, NanoRibbons, Structure

2008

1.
Mobius and twisted graphene nanoribbons: Stability, geometry, and electronic properties

E. W. S.; Freire Caetano, V. N. ; dos Santos

Mobius and twisted graphene nanoribbons: Stability, geometry, and electronic properties Journal Article

In: THE JOURNAL OF CHEMICAL PHYSICS, vol. 128, pp. 164719, 2008.

Abstract | Links | BibTeX | Tags: DFT, Graphene, Mobis, NanoRibbons, Structure

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