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160 entries « 3 of 8 »
41.

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

42.

de Sousa, J. M.; Aguiar, A. L.; Girao, E. C.; Fonseca, Alexandre F.; Filho, A. G. Souza; Galvao, Douglas S.

Mechanical Properties of Phagraphene Membranes: A Fully Atomistic Molecular Dynamics Investigation Journal Article

In: MRS Advances, vol. 3, no. 1-2, pp. 67-72, 2018.

Abstract | Links | BibTeX

43.

de Sousa, J. M.; Aguiar, A. L.; Girao, E. C.; Fonseca, Alexandre F.; Filho, A. G. Sousa; Galvao, Douglas S.

Mechanical Properties of Pentagraphene-based Nanotubes: A Molecular Dynamics Study Online

2018, (preprint arXiv:1801.04269).

Abstract | Links | BibTeX

44.

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

45.

de Sousa, Jose M.; Aguiar, Acrisio L.; Girao, Eduardo C.; Fonseca, Alexandre F.; Antonio G. Sousa Filho,; Galvao, Douglas S.

Mechanical Properties of Phagraphene Membranes: A Fully Atomistic Molecular Dynamics Investigation Online

2018, (preprint arXiv:1801.04292).

Abstract | Links | BibTeX

46.

de Sousa, Jose M.; Aguiar, Acrisio L.; Girao, Eduardo C.; Fonseca, Alexandre F.; Antonio G. Souza Filho,; Galvao, Douglas S.

Mechanical Properties of Pentagraphene-based Nanotubes: A Molecular Dynamics Study Online

2018, (preprint arXiv:1801.04269).

Abstract | Links | BibTeX

47.

Azevedo, David L.; Bizao, Rafael A.; Galvao, Douglas S.

Molecular Dynamics Simulations of Ballistic Penetration of Pentagraphene Sheets Journal Article

In: MRS Advances, vol. 3, no. 8-9, pp. 431-435, 2018.

Abstract | Links | BibTeX

48.

M, Ajayan Pulickel; Woellner, Cristiano F; Owuor, Peter S; Trigueiro, Joao P C; Machado, Leonardo D; Silva, Wellington M; Kosolwattana, Suppanat; Jaques, Ygor M; Silva, Carlos J R; Pedrotti, Jairo; Tiwary, Chandra S; Chipara, Alin C; Galvao, Douglas; Chopra, Nitin; Odeh, Ihab N; Silva, Glaura G.

Hybrid 2D Nanostructures for Mechanical Reinforcement and Thermal Conductivity Enhancement in Polymer Composite Journal Article

In: Composites Science and Technology, vol. 159, no. 5, pp. 103-110, 2018.

Abstract | Links | BibTeX

49.

Oliveira, Eliezer Fernando; da Silva Autreto, Pedro Alves; Galvao, Douglas Soares

Silver Hardening via Hypersonic Impacts Journal Article

In: MRS Advances, vol. 3, no. 8-9, pp. 489-494, 2018.

Abstract | Links | BibTeX

50.

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

51.

Leonardo D Machado Cristiano F Woellner, Pedro AS Autreto; Galvao, Douglas S

Structural Transformations of Carbon and Boron Nitride Nanoscrolls at High Impact Collisions Online

2017, (preprint ArXiv:1711.00378).

Abstract | Links | BibTeX

52.

Sajadi, Seyed Mohammad; Owuor, Peter Samora; Schara, Steven; Woellner, Cristiano F.; Rodrigues, Varlei; Vajtai, Robert; Lou, Jun; Galvao, Douglas S.; Tiwary, Chandra Sekhar; Ajayan, Pulickel M.

Multi-scale Geometric Design Principles Applied to 3D Printed Schwartizes Journal Article

In: Advanced Materials, vol. 2017, pp. 1704820, 2017.

Abstract | Links | BibTeX

53.

Manimunda, P; Nakanishi, Y; Jaques, YM; Susarla, S; Woellner, CF; Bhowmick, S; Asif, SAS; Galvao, DS; Tiwary, CS; Ajayan, PM

Nanoscale deformation and friction characteristics of atomically thin WSe2 and heterostructure using nanoscratch and Raman spectroscopy Journal Article

In: 2D Materials, vol. 4, no. 4, pp. 045005, 2017.

Abstract | Links | BibTeX

54.

Owuor, Peter Samora; Park, Ok-Kyung; Woellner, Cristiano F; Jalilov, Almaz S; Susarla, Sandhya; Joyner, Jarin; Ozden, Sehmus; Duy, LuongXuan; Villegas Salvatierra, Rodrigo; Vajtai, Robert; Tour, James M; Lou, Jun; Galvao, Douglas S; Tiwary, Chandra S; Ajayan, P M

Lightweight Hexagonal Boron Nitride Foam for CO2 Absorption Journal Article

In: ACS Nano, vol. 11, no. 8, pp. 8944–8952, 2017.

Abstract | Links | BibTeX

55.

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

56.

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

57.

de Sousa, JM; Aguiar, AL; Girao, EC; Fonseca, Alexandre F; AG Filho, Souza; Galvao, Douglas S

Mechanical Properties and Fracture Patterns of Pentagraphene Membranes Online

2017, (preprint arXiv:1703.03789).

Abstract | Links | BibTeX

58.

Cristiano F Woellner Peter Samora Owuor, Tong Li

High Toughness in Ultralow Density Graphene Oxide Foam Journal Article

In: Advanced Materials Interfaces, vol. 4, no. 10, pp. 1700030, 2017.

Abstract | Links | BibTeX

59.

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

60.

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

160 entries « 3 of 8 »

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160 entries « 3 of 4 »

2015

60.
High Pressure Induced Binding Between Linear Carbon Chains and Nanotubes

Nadia F. Andradea Gustavo Brunettoa, Douglas S. Galvao

High Pressure Induced Binding Between Linear Carbon Chains and Nanotubes Proceeding

vol. 1752, no. 53-58, 2015, (MRS Proceedings, 1752, pp 53-58).

Abstract | Links | BibTeX | Tags: CNT encapsulation, Electronic Structure, Linear Chains, Molecular Dynamics

2014

59.
A Brief Review on Syntheses, Structures, and Applications of Nanoscrolls

Perim, Eric; Machado, Leonardo Dantas; Galvao, Douglas Soares

A Brief Review on Syntheses, Structures, and Applications of Nanoscrolls Journal Article

In: Frontiers in Materials, vol. 1, pp. 31, 2014, (Invited Review Paper).

Abstract | Links | BibTeX | Tags: Molecular Dynamics, Scrolls

58.
High Pressure Induced Binding Between Linear Carbon Chains and Nanotubes

Brunetto, Gustavo; Andrade, Nadia F.; Galvao, Douglas S; Antonio Filho, G Souza

High Pressure Induced Binding Between Linear Carbon Chains and Nanotubes Proceeding

2014.

Abstract | Links | BibTeX | Tags: Atomic Chains, Carbon Nanotubes, Molecular Dynamics

57.
Novel Nanoscroll Structures from Carbon Nitride Layers

Perim, Eric; Galvao, Douglas S

Novel Nanoscroll Structures from Carbon Nitride Layers Journal Article

In: ChemPhysChem, vol. 15, no. 11, pp. 2367–2371, 2014.

Abstract | Links | BibTeX | Tags: carbon nitride, Molecular Dynamics, Scrolls

56.
Mechanical Properties of Graphene Nanowiggles

Bizao, RA; Botari, T; Galvao, DS

Mechanical Properties of Graphene Nanowiggles Proceeding

Cambridge University Press, vol. 1658, 2014.

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

2013

55.
Dynamics of the formation of carbon nanotube serpentines

SB Legoas LD Machado, JS Soares

Dynamics of the formation of carbon nanotube serpentines Journal Article

In: Physical Review Letters, vol. 110, no. 10, pp. 105502, 2013.

Abstract | Links | BibTeX | Tags: Carbon Nanotubes, Molecular Dynamics, Serpentines, top20

54.
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

53.
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, vol. 15, no. 44, pp. 19147–19150, 2013.

Abstract | Links | BibTeX | Tags: Boron Nitride, Mechanical Properties, Molecular Dynamics, Unzipping

52.
On the Dynamics of Graphdiyne Hydrogenation

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

On the Dynamics of Graphdiyne Hydrogenation Proceeding

Cambridge University Press, vol. 1549, 2013.

Abstract | Links | BibTeX | Tags: Graphdyine, Graphynes, Hydrogenation, Molecular Dynamics

51.
The Hydrogenation Dynamics of h-BN Sheets

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

The Hydrogenation Dynamics of h-BN Sheets Proceeding

Cambridge University Press, vol. 1549, 2013.

Abstract | Links | BibTeX | Tags: Boron Nitride, Hydrogenation, Molecular Dynamics, Nanotubes

50.
Graphyne Oxidation: Insights From a Reactive Molecular Dynamics Investigation

Machado, LD; Autreto, PAS; Galvao, DS

Graphyne Oxidation: Insights From a Reactive Molecular Dynamics Investigation Proceeding

Cambridge University Press, vol. 1549, 2013.

Abstract | Links | BibTeX | Tags: Graphdyine, Graphyne, Molecular Dynamics, Oxidation

2012

49.
Boron Nitride Nanoscrolls

Perim, E; Galvao, DS

Boron Nitride Nanoscrolls Journal Article

In: Physicæ Proceedings, vol. 1, no. 1, pp. 2, 2012.

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

48.
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

47.
Multi-Million Fully Atomistic Molecular Dynamics Simulations of Yarn Formation from Carbon Nanotube Forests

Machado, Leonardo D; Legoas, Sergio B; Galvao, Douglas S

Multi-Million Fully Atomistic Molecular Dynamics Simulations of Yarn Formation from Carbon Nanotube Forests Proceeding

Cambridge University Press, vol. 1407, 2012.

Abstract | Links | BibTeX | Tags: Carbon Nanotube Forests, Carbon Nanotubes, Molecular Dynamics, Yarns

46.
On the Unzipping Mechanisms of Carbon Nanotubes: Insights from Reactive Molecular Dynamics Simulations

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 Proceeding

Cambridge University Press, vol. 1451, 2012.

Abstract | Links | BibTeX | Tags: Carbon Nanotubes, Molecular Dynamics, Unzipping

45.
On the unzipping of multiwalled carbon nanotubes

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

On the unzipping of multiwalled carbon nanotubes Journal Article

In: Nanotechnology, vol. 23, no. 46, pp. 465702, 2012.

Abstract | Links | BibTeX | Tags: Carbon Nanotubes, Fracture, Molecular Dynamics, Unzipping

44.
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, vol. 1407, 2012.

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

2011

43.
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, vol. 1284, 2011.

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

42.
On the formation of carbon nanotube serpentines: insights from multi-million atom molecular dynamics simulation

Machado, Leonardo D; Legoas, Sergio B; Soares, Jaqueline S; Shadmi, Nitzan; Jorio, Ado; Joselevich, Ernesto; Galvao, Douglas S

On the formation of carbon nanotube serpentines: insights from multi-million atom molecular dynamics simulation Proceeding

Cambridge University Press, vol. 1284, 2011.

Abstract | Links | BibTeX | Tags: Mechanical Properties, Molecular Dynamics, Serpentines

41.
Ordered phases of encapsulated diamondoids into carbon nanotubes

Legoas, SB; Dos Santos, RPB; Troche, KS; Coluci, VR; Galvao, DS

Ordered phases of encapsulated diamondoids into carbon nanotubes Journal Article

In: Nanotechnology, vol. 22, no. 31, pp. 315708, 2011.

Abstract | Links | BibTeX | Tags: CNT encapsulation, Diamondoids, Molecular Dynamics

40.
Stability and Dynamics of Boron Nitride Nanoscrolls

Perim, Eric; Galvao, Douglas S

Stability and Dynamics of Boron Nitride Nanoscrolls Proceeding

Cambridge University Press, vol. 1307, 2011.

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

39.
The First Molecular Wheel: A Theoretical Investigation

Brunetto, Gustavo; Sato, Fernando; Bouju, Xavier; Galvao, Douglas S

The First Molecular Wheel: A Theoretical Investigation Proceeding

Cambridge University Press, vol. 1286, 2011.

Abstract | Links | BibTeX | Tags: Molecular Dynamics, Molecular Electronics, Nanowheel

38.
van der Waals potential barrier for cobaltocene encapsulation into single-walled carbon nanotubes: classical molecular dynamics and ab initio study

Azevedo, David L; Sato, Fernando; Gomes de Sousa Filho, Antonio; Galvao, Douglas S

van der Waals potential barrier for cobaltocene encapsulation into single-walled carbon nanotubes: classical molecular dynamics and ab initio study Journal Article

In: Molecular Simulation, vol. 37, no. 9, pp. 746–751, 2011.

Abstract | Links | BibTeX | Tags: CNT encapsulation, Cobaltocene, Molecular Dynamics

2010

37.
$beta$-Carotene encapsulation into single-walled carbon nanotubes: a theoretical study

Moreira, E; Lemos, V; Galvao, DS; Azevedo, DL

$beta$-Carotene encapsulation into single-walled carbon nanotubes: a theoretical study Journal Article

In: Molecular Simulation, vol. 36, no. 13, pp. 1031–1034, 2010.

Abstract | Links | BibTeX | Tags: Beta-carotene, CNT encapsulation, Molecular Dynamics

36.
Neon atoms oscillating inside carbon and boron nitride nanotubes: a fully atomistic molecular dynamics investigation

Garcez, Karl M; Moreira, Edvan; Azevedo, David L; Galvao, Douglas S

Neon atoms oscillating inside carbon and boron nitride nanotubes: a fully atomistic molecular dynamics investigation Journal Article

In: Molecular Simulation, vol. 36, no. 9, pp. 639–643, 2010.

Abstract | Links | BibTeX | Tags: Boron Nitride, Encapsulation, Molecular Dynamics, Nanotubes

2009

35.
C60-derived nanobaskets: stability, vibrational signatures, and molecular trapping

Dos Santos, SG; Pires, MS; Lemos, V; Freire, VN; Caetano, EWS; Galvao, DS; Sato, F; Albuquerque, EL

C60-derived nanobaskets: stability, vibrational signatures, and molecular trapping Journal Article

In: Nanotechnology, vol. 20, no. 39, pp. 395701, 2009.

Abstract | Links | BibTeX | Tags: Fullerenes, Molecular Dynamics, nanobaskets, nanobowls

34.
The structure and dynamics of boron nitride nanoscrolls

Perim, Eric; Galvao, Douglas S

The structure and dynamics of boron nitride nanoscrolls Journal Article

In: Nanotechnology, vol. 20, no. 33, pp. 335702, 2009.

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

2008

33.
A molecular dynamics study of the rotational dynamics and polymerization of C60 in C60-cubane crystals

Coluci, Vitor; Sato, Fernando; Braga, Scheila F; Skaf, Munir S; Galvao, Douglas S

A molecular dynamics study of the rotational dynamics and polymerization of C60 in C60-cubane crystals Journal Article

In: MRS Proceedings, vol. 1130, pp. 1130–W06, 2008.

Abstract | Links | BibTeX | Tags: Cubanes, Molecular Dynamics, Molecular Machines, Rotor-Stator

32.
Carbon nanotubes as reinforcement elements of composite nanotools

Nakabayashi, D; Moreau, ALD; Coluci, VR; Galvao, DS; Cotta, MA; Ugarte, D

Carbon nanotubes as reinforcement elements of composite nanotools Journal Article

In: Nano letters, vol. 8, no. 3, pp. 842–847, 2008.

Abstract | Links | BibTeX | Tags: AFM tips, Carbon Nanotubes, Molecular Dynamics, Nanocomposites, Tribology

31.
Rotational dynamics and polymerization of C60 in C60-cubane crystals: A molecular dynamics study

Coluci, Vitor R; Sato, Fernando; Braga, Scheila F; Skaf, Munir S; Galvao, Douglas S

Rotational dynamics and polymerization of C60 in C60-cubane crystals: A molecular dynamics study Journal Article

In: The Journal of Chemical Physics, vol. 129, no. 6, pp. 064506, 2008.

Abstract | Links | BibTeX | Tags: C60, C70, Cubanes, Fullerenes, Molecular Dynamics, Rotor-Stator

2007

30.
Atomistic study of the encapsulation of diamondoids inside carbon nanotubes

Troche, Karla S; Coluci, Vitor R; Galvao, Douglas S

Atomistic study of the encapsulation of diamondoids inside carbon nanotubes Journal Article

In: arXiv preprint arXiv:0707.1777, 2007.

Abstract | Links | BibTeX | Tags: CNT encapsulation, Diamondoids, Molecular Dynamics

29.
Atomistic simulations of the mechanical properties of'super'carbon nanotubes

Coluci, Vitor R; Pugno, Nicola M; Dantas, Socrates O; Galvao, Douglas S; Jorio, Ado

Atomistic simulations of the mechanical properties of'super'carbon nanotubes Journal Article

In: Nanotechnology, vol. 18, no. 33, pp. 335702, 2007.

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

28.
Cobaltocene encapsulation into single-walled carbon nanotubes: A molecular dynamics investigation

Azevedo, David L; Sato, Fernando; Galvao, Douglas S; others,

Cobaltocene encapsulation into single-walled carbon nanotubes: A molecular dynamics investigation Journal Article

In: arXiv preprint arXiv:0707.3831, 2007.

Abstract | Links | BibTeX | Tags: CNT encapsulation, Cobaltocene, Molecular Dynamics

27.
Electronic and Mechanical Properties of Super Carbon Nanotube Networks

Coluci, VR; Dantas, SO; Jorio, A; Galvao, DS

Electronic and Mechanical Properties of Super Carbon Nanotube Networks Proceeding

Warrendale, Pa.; Materials Research Society; 1999, vol. 963, 2007.

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

26.
Hydrogen storage in carbon nanoscrolls: An atomistic molecular dynamics study

Braga, SF; Coluci, VR; Baughman, RH; Galvao, DS

Hydrogen storage in carbon nanoscrolls: An atomistic molecular dynamics study Journal Article

In: Chemical Physics Letters, vol. 441, no. 1, pp. 78–82, 2007.

Abstract | Links | BibTeX | Tags: Hydrogen Storage, Molecular Dynamics, Scrolls

25.
Mechanical properties of carbon nanotube networks by molecular mechanics and impact molecular dynamics calculations

Coluci, VR; Dantas, SO; Jorio, A; Galvao, DS

Mechanical properties of carbon nanotube networks by molecular mechanics and impact molecular dynamics calculations Journal Article

In: Physical Review B, vol. 75, no. 7, pp. 075417, 2007.

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

24.
Nanotube-or graphene-based nanoarmors

Pugno, Nicola; Coluci, V; Galvao, DS

Nanotube-or graphene-based nanoarmors Book Chapter

In: Computational & Experimental Analysis of Damaged Materials, pp. 145-154 , 2007.

Abstract | Links | BibTeX | Tags: Elasticity, Mechanical Properties, Molecular Dynamics, Super Carbons

23.
Molecular dynamics simulation of single wall carbon nanotubes polymerization under compression

Braga, Scheila Furtado; Galvao, Douglas Soares

Molecular dynamics simulation of single wall carbon nanotubes polymerization under compression Journal Article

In: Journal of Computational Chemistry, vol. 28, no. 10, pp. 1724–1734, 2007.

Abstract | Links | BibTeX | Tags: Carbon Nanotubes, Mechanical Properties, Molecular Dynamics, New Structures, Polymerization

22.
Molecular Recognition Effects in the Surface Diffusion of Large Organic Molecules: The Case of Violet Lander

Sato, F; Legoas, SB; Otero, R; Hummelink, F; Thostrup, P; Lægsgaard, E; Stensgaard, I; Besenbacher, F; Galvao, DS

Molecular Recognition Effects in the Surface Diffusion of Large Organic Molecules: The Case of Violet Lander Journal Article

In: arXiv preprint arXiv:0708.2915, 2007.

Abstract | Links | BibTeX | Tags: Molecular Dynamics, Molecular Machines, Organic-Inorganic Interfaces, Violet Landers

21.
Prediction of the hydrogen storage capacity of carbon nanoscrolls

Coluci, VR; Braga, SF; Baughman, RH; Galvao, DS

Prediction of the hydrogen storage capacity of carbon nanoscrolls Journal Article

In: Physical Review B, vol. 75, no. 12, pp. 125404, 2007.

Abstract | Links | BibTeX | Tags: Hydrogen Storage, Molecular Dynamics, Monte Carlo, Scrolls

2006

20.
Doping of zigzag carbon nanotubes through the encapsulation of small fullerenes

Troche, KS; Coluci, VR; Rurali, R; Galvao, DS

Doping of zigzag carbon nanotubes through the encapsulation of small fullerenes Journal Article

In: arXiv preprint cond-mat/0607197, 2006.

Abstract | Links | BibTeX | Tags: CNT encapsulation, DFT, Molecular Dynamics

19.
Electronic and Mechanical Properties of Super Carbon Nanotube Networks

Coluci, Vitor R; Dantas, Socrates O; Jorio, Ado; Galvao, Douglas S.

Electronic and Mechanical Properties of Super Carbon Nanotube Networks Proceeding

Cambridge University Press, vol. 963, 2006.

Abstract | Links | BibTeX | Tags: Mechanical Properties, Molecular Dynamics, Super Carbons

18.
Experimental realization of suspended atomic chains composed of different atomic species

Bettini, Jefferson; Sato, Fernando; Coura, Pablo Zimmerman; Dantas, SO; Galvao, Douglas Soares; Ugarte, Daniel

Experimental realization of suspended atomic chains composed of different atomic species Journal Article

In: Nature Nanotechnology, vol. 1, no. 3, pp. 182–185, 2006.

Abstract | Links | BibTeX | Tags: Metallic Nanowires, Molecular Dynamics, TEM, top20

17.
Geometric and electronic structure of carbon nanotube networks:'super'-carbon nanotubes

Coluci, Vitor R; Galvao, Douglas S; Jorio, A

Geometric and electronic structure of carbon nanotube networks:'super'-carbon nanotubes Journal Article

In: Nanotechnology, vol. 17, no. 3, pp. 617, 2006.

Abstract | Links | BibTeX | Tags: DFT, Mechanical Properties, Molecular Dynamics, Super Carbons

16.
Nanowires and Suspended Atom Chains from Metal alloys

Bettini, J; Sato, F; Coura, PZ; Dantas, SO; Galvao, DS; Ugarte, D

Nanowires and Suspended Atom Chains from Metal alloys Journal Article

In: arXiv preprint cond-mat/0601617, 2006.

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

15.
On the Formation of Copper Linear Atomic Suspended Chains

Sato, F; Moreira, AS; Bettini, J; Coura, PZ; Dantas, SO; Ugarte, D; Galvao, DS

On the Formation of Copper Linear Atomic Suspended Chains Journal Article

In: arXiv preprint cond-mat/0602092, 2006.

Abstract | Links | BibTeX | Tags: Copper, Linear Atomic Chains, Metallic Nanowires, Molecular Dynamics, TEM

14.
Single wall carbon nanotubes polymerization under compression: An atomistic molecular dynamics study

Braga, SF; Galvao, DS

Single wall carbon nanotubes polymerization under compression: An atomistic molecular dynamics study Journal Article

In: Chemical physics letters, vol. 419, no. 4, pp. 394–399, 2006.

Abstract | Links | BibTeX | Tags: Carbon Nanotubes, Molecular Dynamics, Polymerization

13.
Transmission electron microscopy and molecular dynamics study of the formation of suspended copper linear atomic chains

Sato, F; Moreira, AS; Bettini, J; Coura, PZ; Dantas, SO; Ugarte, D; Galvao, DS

Transmission electron microscopy and molecular dynamics study of the formation of suspended copper linear atomic chains Journal Article

In: Physical Review-Section B-Condensed Matter, vol. 74, no. 19, pp. 193401–193401, 2006.

Abstract | Links | BibTeX | Tags: Linear Atomic Chains, Metallic Nanowires, Molecular Dynamics, TEM

2005

12.
Computer simulations of gold nanowire formation: the role of outlayer atoms

Sato, F; Moreira, AS; Coura, PZ; Dantas, SO; Legoas, SB; Ugarte, D; Galvao, DS

Computer simulations of gold nanowire formation: the role of outlayer atoms Journal Article

In: Applied Physics A (invited paper), vol. 81, no. 8, pp. 1527–1531, 2005.

Abstract | Links | BibTeX | Tags: Linear Atomic Chains, Metallic Nanowires, Molecular Dynamics, TEM

11.
Hydrogen Storage in Carbon Nanoscrolls: A Molecular Dynamics Study

Coluci, Vitor; Braga, Scheila F; Baughman, Ray H; Galvao, Douglas S

Hydrogen Storage in Carbon Nanoscrolls: A Molecular Dynamics Study Proceeding

Cambridge University Press, vol. 885, 2005.

Abstract | Links | BibTeX | Tags: Hydrogen Storage, Molecular Dynamics, Monte Carlo, Scrolls

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