Publications

Show all

1.

Nadia F. Andradea Gustavo Brunettoa, Douglas S. Galvao

High Pressure Induced Binding Between Linear Carbon Chains and Nanotubes Proceeding

1752 (53-58), 2015, (MRS Proceedings, 1752, pp 53-58).

Abstract | Links | BibTeX

2.

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

Ordered phases of encapsulated diamondoids into carbon nanotubes Journal Article

In: Nanotechnology, 22 (31), pp. 315708, 2011.

Abstract | Links | BibTeX

3.

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, 37 (9), pp. 746–751, 2011.

Abstract | Links | BibTeX

4.

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

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

In: Molecular Simulation, 36 (13), pp. 1031–1034, 2010.

Abstract | Links | BibTeX

5.

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

6.

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

7.

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

Structural and electronic properties of zigzag carbon nanotubes filled with small fullerenes Journal Article

In: Journal of Physics: Condensed Matter, 19 (23), pp. 236222, 2007.

Abstract | Links | BibTeX

8.

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

Show all

2015

8.
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

1752 (53-58), 2015, (MRS Proceedings, 1752, pp 53-58).

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

2011

7.
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, 22 (31), pp. 315708, 2011.

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

6.
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, 37 (9), pp. 746–751, 2011.

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

2010

5.
$beta$-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, 36 (13), pp. 1031–1034, 2010.

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

2007

4.
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

3.
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

2.
Structural and electronic properties of zigzag carbon nanotubes filled with small fullerenes

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

Structural and electronic properties of zigzag carbon nanotubes filled with small fullerenes Journal Article

In: Journal of Physics: Condensed Matter, 19 (23), pp. 236222, 2007.

Abstract | Links | BibTeX | Tags: Carbon Nanotubes, CNT encapsulation, Electronic Structure, Fullerenes, Peapods

2006

1.
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

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