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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). In: 2019. (Type: Journal Article | BibTeX)
2. Fonseca AF; Dantas, SO; Galvao DS; Zhang Sinnott SB D;: The Structure of Graphene on Graphene/C60/Cu Interfaces: A Molecular Dynamics Study. 2019, (ArXiv preprint). (Type: Online | Abstract | Links | BibTeX)
3. Fonseca AF; Dantas, SO; Galvao DS; Zhang Sinnott SB D;: The Structure of Graphene on Graphene/C60/Cu Interfaces: A Molecular Dynamics Study (under review). In: 2019. (Type: Journal Article | BibTeX)
4. Jaques, Ygor M; Galvao, Douglas S: Structural Properties of Nanodroplets Impacting Graphene at High Velocities (accepted). In: Journal of Molecular Liquids, 2019. (Type: Journal Article | Abstract | BibTeX)
5. Fonseca, Alexandre F; Galvao, Douglas S: Self-tearing and self-peeling of folded graphene nanoribbons. In: Carbon, 143 , pp. 230-239, 2019. (Type: Journal Article | 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. In: Nature Scientific Reports, 8 , pp. 6750, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
7. Jaques Ygor M.; Galvao, Douglas S: Structural Properties of Nanodroplets Impacting Graphene at High Velocities. 2018, (Preprint ArXiv:1804.07784). (Type: Online | Abstract | Links | BibTeX)
8. Devi, Manolata M; Dolai, N; S, Sreehala S; Jaques, Y M; Galvao, Douglas S; C.S.Tiwary, ; Sharma, Sudhanshu; Biswas, Krishanu: Morphology Controlled Graphene-Alloy Nanoparticles Hybrids with Tunable Catalytic Activity. In: Nanoscale, 10 , pp. 8840-8850, 2018. (Type: Journal Article | 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. In: Carbon, 134 (8), pp. 491-499, 2018. (Type: Journal Article | 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. In: MRS Advances, 3 (1-2), pp. 109-114, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
11. Daiane Damasceno Borges Cristiano F Woellner, Pedro AS Autreto Douglas Galvao S: Insights on the mechanism of water-alcohol separation in multilayer graphene oxide membranes: entropic versus enthalpic factors. In: Carbon, 127 , pp. 280-286, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
12. Fonseca, Alexandre F; Galvao, Douglas S: Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation. In: MRS Advances, 3 (8-9), pp. 460-465, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
13. Fonseca, Alexandre F; Galvao, Douglas S: Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation. 2018, (preprint arXiv:1801.05354). (Type: Online | Abstract | Links | BibTeX)
14. Oliveira, Eliezer Fernando; Santos, Ricardo Paupitz; da Autreto, Pedro Alves Silva; Stanislav Moshkalev, ; Galvao, Douglas Soares: Improving Graphene-metal Contacts: Thermal Induced Polishing. 2018, (preprint ArXiv:1801.04785). (Type: Online | Abstract | Links | BibTeX)
15. Oliveira, Eliezer Fernando; Paupitz, Ricardo; da Autreto, Pedro Alves Silva; Moshkalev, Stanislav; Galvao, Douglas Soares: Improving Graphene-metal Contacts: Thermal Induced Polishing . In: MRS Advances, 3 (1-2), pp. 73-78, 2018. (Type: Journal Article | 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. 2017, (preprint arXiv:1702.00250). (Type: Online | 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. In: Carbon, 119 , pp. 431-437, 2017, (See also ArxIv version: https://arxiv.org/abs/1702.01100). (Type: Journal Article | Abstract | Links | BibTeX)
18. Splugues, Vinicius ; da Silva Autreto, Pedro Alves ; Galvao, Douglas S: Hydrogenation Dynamics of Biphenylene Carbon (Graphenylene) Membranes. In: MRS Advances, 2017 , pp. 1-6, 2017. (Type: Journal Article | 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. 2017, (preprint arXiv:1702.01100). (Type: Online | 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. 2017, (preprint arXiv:1702.00250). (Type: Online | 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

2019.

BibTeX | Tags: C60, Graphene, Molecular Dynamics

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

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

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.

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

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

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

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

Carbon, 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

Nature Scientific Reports, 8 , pp. 6750, 2018.

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

43.Structural Properties of Nanodroplets Impacting Graphene at High Velocities

Jaques Ygor M.; Galvao, 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, Manolata M; Dolai, N; S, Sreehala S; 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

Nanoscale, 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

Carbon, 134 (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

MRS Advances, 3 (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

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

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

Carbon, 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

MRS Advances, 3 (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 Autreto, Pedro Alves Silva; 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 Autreto, Pedro Alves Silva; Moshkalev, Stanislav; Galvao, Douglas Soares

Improving Graphene-metal Contacts: Thermal Induced Polishing Journal Article

MRS Advances, 3 (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

Carbon, 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

MRS Advances, 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

da Dibyendu Chakravarty Chandra Sekhar Tiwary, Cristano Woellner Sruthi Radhakrishnan Soumya Vinod Sehmus Ozden Pedro Alves Silva Autreto Sanjit Bhowmick Syed Asif Sendurai Mani Douglas Galvao Pulickel F A S M

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

Advanced Materials, 28 (40), pp. 8959-8967, 2016.

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

27.Giant and Tunable Anisotropy of Nanoscale Friction in Graphene

Clara M Almeida Rodrigo Prioli, Benjamin Fragneaud Luiz Gustavo Cançado Ricardo Paupitz Douglas Galvão Marcelo De Cicco Marcos Menezes Carlos Achete Rodrigo Capaz S G A B

Giant and Tunable Anisotropy of Nanoscale Friction in Graphene Journal Article

Nature Scientific Reports, 6 , pp. 31569, 2016.

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

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

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

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

Carbon, 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

MRS Advances, 2016 , 2016.

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

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

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

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

MRS Advances, 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 ; da Autreto, Pedro Alves 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

Victor A Ermakov Andrei V Alaferdov, Alfredo Vaz Eric Perim Pedro AS Autreto Ricardo Paupitz Douglas Galvao Stanislav Moshkalev R S A

Burning Graphene Layer-by-Layer Journal Article

Nature Scientific Reports, 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

EPL (Europhysics Letters), 105 (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

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16 (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

Carbon, 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 Proceeding

Cambridge University Press, 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 Proceeding

Cambridge University Press, 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

Nature Communications, 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

Journal of Applied Physics, 113 (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, Goverapet S; van Duin, Adri CT ; Galvao, DS

Graphene to fluorographene and fluorographane: a theoretical study Journal Article

Nanotechnology, 24 (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

Physicæ Proceedings, 1 (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

The Journal of Physical Chemistry C, 116 (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 Proceeding

Cambridge University Press, 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. Proceeding

Cambridge University Press, 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 Proceeding

Cambridge University Press, 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

MRS Proceedings, 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

Nanotechnology, 21 (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

Nanotechnology, 20 (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

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; dos Santos, Sergio G; Galvao, Douglas S; Sato, Fernando

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

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

dos and Caetano E. W. S.; Freire, Santos Galvao Sato V N ; S G ; D S F

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

THE JOURNAL OF CHEMICAL PHYSICS, 128 , pp. 164719, 2008.

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

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