Publications

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1. Gustavo Brunettoa Nadia F. Andradea, Douglas Galvao Antonio Souza Filho S G: High Pressure Induced Binding Between Linear Carbon Chains and Nanotubes. 1752 (53-58), 2015, (MRS Proceedings, 1752, pp 53-58). (Type: Proceeding | Abstract | Links | BibTeX)
2. Legoas, SB ; Dos Santos, RPB ; Troche, KS ; Coluci, VR ; Galvao, DS : Ordered phases of encapsulated diamondoids into carbon nanotubes. In: Nanotechnology, 22 (31), pp. 315708, 2011. (Type: Journal Article | 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. In: Molecular Simulation, 37 (9), pp. 746–751, 2011. (Type: Journal Article | Abstract | Links | BibTeX)
4. Moreira, E; Lemos, V; Galvao, DS ; Azevedo, DL : $beta$-Carotene encapsulation into single-walled carbon nanotubes: a theoretical study. In: Molecular Simulation, 36 (13), pp. 1031–1034, 2010. (Type: Journal Article | Abstract | Links | BibTeX)
5. Troche, Karla S; Coluci, Vitor R; Galvao, Douglas S: Atomistic study of the encapsulation of diamondoids inside carbon nanotubes. In: arXiv preprint arXiv:0707.1777, 2007. (Type: Journal Article | Abstract | Links | BibTeX)
6. Azevedo, David L; Sato, Fernando ; Galvao, Douglas S; others, : Cobaltocene encapsulation into single-walled carbon nanotubes: A molecular dynamics investigation. In: arXiv preprint arXiv:0707.3831, 2007. (Type: Journal Article | Abstract | Links | BibTeX)
7. Troche, KS ; Coluci, VR ; Rurali, R; Galvao, DS : Structural and electronic properties of zigzag carbon nanotubes filled with small fullerenes. In: Journal of Physics: Condensed Matter, 19 (23), pp. 236222, 2007. (Type: Journal Article | Abstract | Links | BibTeX)
8. Troche, KS ; Coluci, VR ; Rurali, R; Galvao, DS : Doping of zigzag carbon nanotubes through the encapsulation of small fullerenes. In: arXiv preprint cond-mat/0607197, 2006. (Type: Journal Article | Abstract | Links | BibTeX)

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2015

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

Gustavo Brunettoa Nadia F. Andradea, Douglas Galvao Antonio Souza Filho S G

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

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

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

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

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

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

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

arXiv preprint cond-mat/0607197, 2006.

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

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