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Curriculum Lattes

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1.de Sousa JM;, Bizao RA; Sousa Filho VP; Aguiar AL; Coluci VR; Pugno NM; Girao EC; Souza Filho AG; Galvao DS : Elastic Properties of Graphyne-based Nanotubes. 2019, (ArXiv preprint.). (Tipo: Online | Resumo | Links | BibTeX)
2.de Sousa JM;, Bizao RA; Sousa Filho VP; Aguiar AL; Coluci VR; Pugno NM; Girao EC; Souza Filho AG; Galvao DS : Elastic Properties of Graphyne-Based Nanotubes. Em: Computational Materials Science, 170 , pp. 109153, 2019. (Tipo: Journal Article | Resumo | Links | BibTeX)
3. Chipara, A C; Tsafack, T; Owuor, P S; Yeon, J; Junkermeier, C E; van Duin, A C T; Bhowmick, S; Asif, S A S; Radhakrishnan, S; Park, J H; Brunetto, G; Kaipparettu, B A; Galvão, D S; Chipara, M; Lou, J; Tsang, H H; Dubey, M; Vajtai, R; Tiwary, C S; Ajayan, P M: Underwater Adhesive using Solid–liquid Polymer Mixes. Em: Materials Today Chemistry, 9 , pp. 149-157, 2018. (Tipo: Journal Article | Resumo | Links | BibTeX)
4. Oliveira, Eliezer F; Autreto, Pedro A S; Woellner, Cristiano F; Galvao, Douglas S: On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation. Em: Carbon, 139 , pp. 782-788, 2018. (Tipo: Journal Article | Resumo | Links | BibTeX)
5. Balan, Aravind Puthirath; Radhakrishnan, Sruthi; Woellner, Cristiano F; Sinha, Shyam K; Deng, Liangzi; de los Reyes, Carlos; Rao, Manmadha; Paulose, Maggie; Neupane, Ram; Vajtai, Robert; Chu, Ching-Wu; Costin, Gelu; Galvao, Douglas S; Marti, Angel A; van Aken, Peter; Varghese, Oomman K; Tiwary, Chandra Sekhar; Anantharaman, M R; Ajayan, Pulickel M: Exfoliation of a non-van der Waals material from iron ore hematite. Em: Nature Nanotechnology, 13 , pp. 602–610, 2018. (Tipo: Journal Article | Resumo | Links | BibTeX)
6. Oliveira Eliezer F.; Autreto, Pedro Woellner Cristiano Galvao Douglas A S ; F ; S: On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation. 2018, (preprint ArXiv:1804.07215). (Tipo: Online | Resumo | Links | BibTeX)
7. 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. Em: Carbon, 134 (8), pp. 491-499, 2018. (Tipo: Journal Article | Resumo | Links | BibTeX)
8. Han, Yang ; Zhou, Yanguang ; Qin, Guangzhao ; Dong, Jinming ; Galvao, Douglas S; Hu, Ming : Unprecedented mechanical response of the lattice thermal conductivity of auxetic carbon crystals. Em: Carbon, 122 , pp. 374-380, 2017. (Tipo: Journal Article | Resumo | Links | BibTeX)
9.de Sousa, JM ; Aguiar, AL ; Girao, EC ; Fonseca, Alexandre F; AG Filho, Souza ; Galvao, Douglas S: Mechanical Properties and Fracture Patterns of Pentagraphene Membranes. 2017, (preprint arXiv:1703.03789). (Tipo: Online | Resumo | Links | BibTeX)
10. Borges, Daiane Damasceno ; Maurin, Guillaume ; Galvao, Douglas S: Design of Porous Metal-Organic Frameworks for Adsorption Driven Thermal Batteries. Em: MRS Advances, 2017 , pp. 1-6, 2017. (Tipo: Journal Article | Resumo | Links | BibTeX)
11. Sujin P Jose Chandra Sekhar Tiwary, Suppanat Kosolwattana Prasanth Raghavan Leonardo Machado Chandkiram Gautam Prasankumar Jarin Joyner Sehmus Ozden Douglas Galvao PM Ajayan D T S: Enhanced supercapacitor performance of a 3D architecture tailored using atomically thin rGO–MoS 2 2D sheets. Em: RSC Advances, 6 , pp. 93384-93393, 2016. (Tipo: Journal Article | Resumo | Links | BibTeX)
12. Mohamad A Kabbani Chandra Sekhar Tiwary, Anirban Som KR Krishnadas Pedro AS Autreto Sehmus Ozden Kunttal Keyshar Ken Hackenberg Alin Christian Chipara Douglas Galvao Robert Vajtai Ahmad Kabbani Thalappil Pradeep Pulickel Ajayan S T M: A generic approach for mechano-chemical reactions between carbon nanotubes of different functionalities. Em: Carbon, 104 , pp. 196-202, 2016. (Tipo: Journal Article | Resumo | Links | BibTeX)
13. Bo Li Yongji Gong, Zhili Hu Gustavo Brunetto Yingchao Yang Gonglan Ye Zhuhua Zhang Sidong Lei Zehua Jin Elisabeth Bianco Xiang Zhang Weipeng Wang Jun Lou Douglas Galvão Ming Tang Boris Yakobson Robert Vajtai Pulickel Ajayan S I M: Solid–Vapor Reaction Growth of Transition‐Metal Dichalcogenide Monolayers. Em: Angewandte Chemie, 128 (36), pp. 10814-10819, 2016. (Tipo: Journal Article | Resumo | Links | BibTeX)
14. 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. Em: Nature Scientific Reports, 6 , pp. 31569, 2016. (Tipo: Journal Article | Resumo | Links | BibTeX)
15. Gao, Guanhui ; Mathkar, Akshay ; Martins, Eric Perim ; Galvao, Douglas S; Gao, Duyang ; da Silva Autreto, Pedro Alves ; Sun, Chengjun ; Cai, Lintao ; Ajayan, Pulickel M: Designing nanoscaled hybrids from atomic layered boron nitride with silver nanoparticle deposition. Em: Journal of Materials Chemistry A, 2 (9), pp. 3148–3154, 2014. (Tipo: Journal Article | Resumo | Links | BibTeX)
16. Perim, E; Paupitz, R; Botari, T; Galvao, DS : One-dimensional silicon and germanium nanostructures with no carbon analogues. Em: Physical Chemistry Chemical Physics, 16 (44), pp. 24570–24574, 2014. (Tipo: Journal Article | Resumo | Links | BibTeX)
17. Perim, Eric ; Paupitz, Ricardo ; Botari, Tiago ; Galvao, Douglas S: Novel Semiconducting Silicon and Germanium Nanotubes. Em: arXiv preprint arXiv:1403.2061, 2014. (Tipo: Journal Article | Resumo | Links | BibTeX)
18.da Autreto, Pedro Alves Silva ; Galvao, Douglas S; Artacho, Emilio : Species Fractionation in Atomic Chains from Mechanically Stretched Alloys. Em: arXiv preprint arXiv:1312.1285, 2013. (Tipo: Journal Article | Resumo | Links | BibTeX)
19. 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. Em: The Journal of Physical Chemistry C, 116 (23), pp. 12810–12813, 2012. (Tipo: Journal Article | Resumo | Links | BibTeX)
20. MJ Lagos PAS Autreto, SB Legoas Sato Rodrigues DS Galvao Ugarte F V D: Temperature effects on the occurrence of long interatomic distances in atomic chains formed from stretched gold nanowires. Em: Nanotechnology, 22 (9), pp. 095705, 2011. (Tipo: Journal Article | Resumo | Links | BibTeX)
39 entradas « 1 de 2 »

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2019

39.Elastic Properties of Graphyne-based Nanotubes

de Sousa JM;, Bizao RA; Sousa Filho VP; Aguiar AL; Coluci VR; Pugno NM; Girao EC; Souza Filho AG; Galvao DS

Elastic Properties of Graphyne-based Nanotubes Online

2019, (ArXiv preprint.).

Resumo | Links | BibTeX | Tags: DFT, Graphynes, Molecular Dynamics, Nanotubes

38.Elastic Properties of Graphyne-Based Nanotubes

de Sousa JM;, Bizao RA; Sousa Filho VP; Aguiar AL; Coluci VR; Pugno NM; Girao EC; Souza Filho AG; Galvao DS

Elastic Properties of Graphyne-Based Nanotubes Journal Article

Computational Materials Science, 170 , pp. 109153, 2019.

Resumo | Links | BibTeX | Tags: DFT, Graphynes, Molecular Dynamics, Nanotubes

2018

37.Underwater Adhesive using Solid–liquid Polymer Mixes

Chipara, A C; Tsafack, T; Owuor, P S; Yeon, J; Junkermeier, C E; van Duin, A C T; Bhowmick, S; Asif, S A S; Radhakrishnan, S; Park, J H; Brunetto, G; Kaipparettu, B A; Galvão, D S; Chipara, M; Lou, J; Tsang, H H; Dubey, M; Vajtai, R; Tiwary, C S; Ajayan, P M

Underwater Adhesive using Solid–liquid Polymer Mixes Journal Article

Materials Today Chemistry, 9 , pp. 149-157, 2018.

Resumo | Links | BibTeX | Tags: Adhesives, DFT, Molecular Dynamics, Polymer

36.On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation

Oliveira, Eliezer F; Autreto, Pedro A S; Woellner, Cristiano F; Galvao, Douglas S

On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation Journal Article

Carbon, 139 , pp. 782-788, 2018.

Resumo | Links | BibTeX | Tags: carbon allotropes, DFT, Molecular Dynamics, novamenes

35.Exfoliation of a non-van der Waals material from iron ore hematite

Balan, Aravind Puthirath; Radhakrishnan, Sruthi; Woellner, Cristiano F; Sinha, Shyam K; Deng, Liangzi; de los Reyes, Carlos; Rao, Manmadha; Paulose, Maggie; Neupane, Ram; Vajtai, Robert; Chu, Ching-Wu; Costin, Gelu; Galvao, Douglas S; Marti, Angel A; van Aken, Peter; Varghese, Oomman K; Tiwary, Chandra Sekhar; Anantharaman, M R; Ajayan, Pulickel M

Exfoliation of a non-van der Waals material from iron ore hematite Journal Article

Nature Nanotechnology, 13 , pp. 602–610, 2018.

Resumo | Links | BibTeX | Tags: DFT, Hematene, Molecular Dynamics, van der Waals solids

34.On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation

Oliveira Eliezer F.; Autreto, Pedro Woellner Cristiano Galvao Douglas A S ; F ; S

On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation Online

2018, (preprint ArXiv:1804.07215).

Resumo | Links | BibTeX | Tags: carbon allotropes, DFT, Molecular Dynamics, novamenes

33.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.

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

2017

32.Unprecedented mechanical response of the lattice thermal conductivity of auxetic carbon crystals

Han, Yang ; Zhou, Yanguang ; Qin, Guangzhao ; Dong, Jinming ; Galvao, Douglas S; Hu, Ming

Unprecedented mechanical response of the lattice thermal conductivity of auxetic carbon crystals Journal Article

Carbon, 122 , pp. 374-380, 2017.

Resumo | Links | BibTeX | Tags: Auxetics, DFT, Thermal, Tubulanes

31.Mechanical Properties and Fracture Patterns of Pentagraphene Membranes

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).

Resumo | Links | BibTeX | Tags: DFT, Mechanical Properties, Molecular Dynamics, pentagraphene

30.Design of Porous Metal-Organic Frameworks for Adsorption Driven Thermal Batteries

Borges, Daiane Damasceno ; Maurin, Guillaume ; Galvao, Douglas S

Design of Porous Metal-Organic Frameworks for Adsorption Driven Thermal Batteries Journal Article

MRS Advances, 2017 , pp. 1-6, 2017.

Resumo | Links | BibTeX | Tags: DFT, MOFs, thermal batteries

2016

29.Enhanced supercapacitor performance of a 3D architecture tailored using atomically thin rGO–MoS 2 2D sheets

Sujin P Jose Chandra Sekhar Tiwary, Suppanat Kosolwattana Prasanth Raghavan Leonardo Machado Chandkiram Gautam Prasankumar Jarin Joyner Sehmus Ozden Douglas Galvao PM Ajayan D T S

Enhanced supercapacitor performance of a 3D architecture tailored using atomically thin rGO–MoS 2 2D sheets Journal Article

RSC Advances, 6 , pp. 93384-93393, 2016.

Resumo | Links | BibTeX | Tags: Chalcogenides, DFT, graphene oxide, Molecular Dynamics

28.A generic approach for mechano-chemical reactions between carbon nanotubes of different functionalities

Mohamad A Kabbani Chandra Sekhar Tiwary, Anirban Som KR Krishnadas Pedro AS Autreto Sehmus Ozden Kunttal Keyshar Ken Hackenberg Alin Christian Chipara Douglas Galvao Robert Vajtai Ahmad Kabbani Thalappil Pradeep Pulickel Ajayan S T M

A generic approach for mechano-chemical reactions between carbon nanotubes of different functionalities Journal Article

Carbon, 104 , pp. 196-202, 2016.

Resumo | Links | BibTeX | Tags: Carbon Nanotubes, DFT, Fracture, Mechano-chemistry, Molecular Dynamics

27.Solid–Vapor Reaction Growth of Transition‐Metal Dichalcogenide Monolayers

Bo Li Yongji Gong, Zhili Hu Gustavo Brunetto Yingchao Yang Gonglan Ye Zhuhua Zhang Sidong Lei Zehua Jin Elisabeth Bianco Xiang Zhang Weipeng Wang Jun Lou Douglas Galvão Ming Tang Boris Yakobson Robert Vajtai Pulickel Ajayan S I M

Solid–Vapor Reaction Growth of Transition‐Metal Dichalcogenide Monolayers Journal Article

Angewandte Chemie, 128 (36), pp. 10814-10819, 2016.

Resumo | Links | BibTeX | Tags: Chalcogenides, cvd, DFT

26.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.

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

2014

25.Designing nanoscaled hybrids from atomic layered boron nitride with silver nanoparticle deposition

Gao, Guanhui ; Mathkar, Akshay ; Martins, Eric Perim ; Galvao, Douglas S; Gao, Duyang ; da Silva Autreto, Pedro Alves ; Sun, Chengjun ; Cai, Lintao ; Ajayan, Pulickel M

Designing nanoscaled hybrids from atomic layered boron nitride with silver nanoparticle deposition Journal Article

Journal of Materials Chemistry A, 2 (9), pp. 3148–3154, 2014.

Resumo | Links | BibTeX | Tags: DFT, nano particles

24.One-dimensional silicon and germanium nanostructures with no carbon analogues

Perim, E; Paupitz, R; Botari, T; Galvao, DS

One-dimensional silicon and germanium nanostructures with no carbon analogues Journal Article

Physical Chemistry Chemical Physics, 16 (44), pp. 24570–24574, 2014.

Resumo | Links | BibTeX | Tags: DFT, Germanium, Nanotubes, Silicon

23.Novel Semiconducting Silicon and Germanium Nanotubes

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

Novel Semiconducting Silicon and Germanium Nanotubes Journal Article

arXiv preprint arXiv:1403.2061, 2014.

Resumo | Links | BibTeX | Tags: DFT, Germanium, Nanotubes, Silicon

2013

22.Species Fractionation in Atomic Chains from Mechanically Stretched Alloys

da Autreto, Pedro Alves Silva ; Galvao, Douglas S; Artacho, Emilio

Species Fractionation in Atomic Chains from Mechanically Stretched Alloys Journal Article

arXiv preprint arXiv:1312.1285, 2013.

Resumo | Links | BibTeX | Tags: Atomic Chains, DFT, Mech, Mechanical Properties, Metallic Nanowires

2012

21.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.

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

2011

20.Temperature effects on the occurrence of long interatomic distances in atomic chains formed from stretched gold nanowires

MJ Lagos PAS Autreto, SB Legoas Sato Rodrigues DS Galvao Ugarte F V D

Temperature effects on the occurrence of long interatomic distances in atomic chains formed from stretched gold nanowires Journal Article

Nanotechnology, 22 (9), pp. 095705, 2011.

Resumo | Links | BibTeX | Tags: DFT, Gold, Metallic Nanowires, TEM

19.Intrinsic Stability of the Smallest Possible Silver Nanotube

Autreto, PAS ; Lagos, MJ ; Sato, F; Bettini, J; Rocha, AR ; Rodrigues, V; Ugarte, D; Galvao, DS

Intrinsic Stability of the Smallest Possible Silver Nanotube Journal Article

Physical Review Letters, 106 (6), pp. 065501, 2011.

Resumo | Links | BibTeX | Tags: DFT, Mechanical Properties, Metallic Nanowires, New Structures, top20

18.Mechanical deformation of nanoscale metal rods: when size and shape matter

Lagos, Maureen J; Sato, Fernando ; Galvao, Douglas S; Ugarte, Daniel

Mechanical deformation of nanoscale metal rods: when size and shape matter Journal Article

Physical Review Letters, 106 (5), pp. 055501, 2011.

Resumo | Links | BibTeX | Tags: Defects, DFT, Mechanical Properties, Metallic Nanowires

17.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.

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

2010

16.Adsorption configuration effects on 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

Adsorption configuration effects on the surface diffusion of large organic molecules: The case of Violet Lander Journal Article

The Journal of chemical physics, 133 (22), pp. 224702, 2010.

Resumo | Links | BibTeX | Tags: DFT, Diffusion, Molecular Electronics, STM, Violet Lander

15.Carbon nanotube with square cross-section: An ab initio investigation

Autreto, PAS ; Legoas, SB ; Flores, MZS ; Galvao, DS

Carbon nanotube with square cross-section: An ab initio investigation Journal Article

The Journal of chemical physics, 133 (12), pp. 124513, 2010.

Resumo | Links | BibTeX | Tags: Carbon Nanotubes, DFT, New Structures, square tubes

14.Temperature effects on the atomic arrangement and conductance of atomic-size gold nanowires generated by mechanical stretching

Lagos, MJ ; Sato, F; Autreto, PAS ; Galvao, DS ; Rodrigues, V; Ugarte, D

Temperature effects on the atomic arrangement and conductance of atomic-size gold nanowires generated by mechanical stretching Journal Article

Nanotechnology, 21 (48), pp. 485702, 2010.

Resumo | Links | BibTeX | Tags: DFT, Mechanical Properties, Metallic Nanowires, Quantum Transport, TEM

2008

13.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.

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

12.Large electromechanical response in silicon nanowires predicted from first-principles electronic structure calculations

Rurali, R; Cartoixa, X; Galvao, DS

Large electromechanical response in silicon nanowires predicted from first-principles electronic structure calculations Journal Article

Physical Review B, 77 (7), pp. 073403, 2008.

Resumo | Links | BibTeX | Tags: DFT, Eletroactuation, Nanowires, Silicon

11.Some electronic properties of saturated and unsaturated cubane oligomers using DFT-based calculations

Konstantinova, Elena ; Camilo Jr, Alexandre ; Barone, Paulo MVB ; Dantas, Socrates O; Galvao, Douglas S

Some electronic properties of saturated and unsaturated cubane oligomers using DFT-based calculations Journal Article

Journal of Molecular Structure: THEOCHEM, 868 (1), pp. 37–41, 2008.

Resumo | Links | BibTeX | Tags: Cubanes, DFT, Polymer

2007

10.Is Small Perfect? Size Limit to Defect Formation in Pyramidal Pt Nanocontacts

Rodrigues, Varlei ; Sato, Fernando ; Galvao, Douglas S; Ugarte, Daniel

Is Small Perfect? Size Limit to Defect Formation in Pyramidal Pt Nanocontacts Journal Article

arXiv preprint arXiv:0707.4187, 2007.

Resumo | Links | BibTeX | Tags: Defects, DFT, Metallic Nanowires, Structure, TEM

9.Size limit of defect formation in pyramidal Pt nanocontacts

Rodrigues, V; Sato, F; Galvao, DS ; Ugarte, D

Size limit of defect formation in pyramidal Pt nanocontacts Journal Article

Physical Review Letters, 99 (25), pp. 255501, 2007.

Resumo | Links | BibTeX | Tags: DFT, Metallic Nanowires, Platinum, Structure, TEM, top20

2006

8.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.

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

7.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

Nanotechnology, 17 (3), pp. 617, 2006.

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

6.Prediction of Giant Electro-actuation for Carbon Nanoscrolls

Rurali, R; Coluci, VR ; Galvao, DS

Prediction of Giant Electro-actuation for Carbon Nanoscrolls Journal Article

arXiv preprint cond-mat/0603239, 2006.

Resumo | Links | BibTeX | Tags: DFT, Electroactuation, Electronic Structure, Scrolls

5.Prediction of giant electroactuation for papyruslike carbon nanoscroll structures: first-principles calculations

Rurali, R; Coluci, VR ; Galvao, DS

Prediction of giant electroactuation for papyruslike carbon nanoscroll structures: first-principles calculations Journal Article

Physical Review B, 74 (8), pp. 085414, 2006.

Resumo | Links | BibTeX | Tags: DFT, Electronic Structure, Eletroactuation, Scrolls

2005

4.Structural and electronic properties of radialenes and related systems

Konstantinova, Elena ; Galvao, Douglas S; Barone, Paulo MVB ; Dantas, Socrates O

Structural and electronic properties of radialenes and related systems Journal Article

Journal of Molecular Structure: THEOCHEM, 729 (3), pp. 203–210, 2005.

Resumo | Links | BibTeX | Tags: DFT, Electronic Structure, Radialenes

2004

3.Contaminants in suspended gold chains: An ab initio molecular dynamics study

Legoas, Sergio B; Rodrigues, Varlei ; Ugarte, Daniel ; Galvao, Douglas S

Contaminants in suspended gold chains: An ab initio molecular dynamics study Journal Article

Physical Review Letters, 93 (21), pp. 216103, 2004.

Resumo | Links | BibTeX | Tags: DFT, Electronic Structure, Linear Atomic Chains, Metallic Nanowires, top20

2002

2.Origin of anomalously long interatomic distances in suspended gold chains

Legoas, Sergio B; Galvao, Douglas S; Rodrigues, Varlei ; Ugarte, Daniel

Origin of anomalously long interatomic distances in suspended gold chains Journal Article

Physical Review Letters, 88 (7), pp. 076105, 2002.

Resumo | Links | BibTeX | Tags: DFT, Electronic Structure, Linear Atomic Chains, Metallic Nanowires, TEM, top20

1.The Role of Carbon Contamination in Suspended Gold Nanowires

Legoas, Sergio B; Galvao, Douglas S; Rodrigues, Varlei ; Ugarte, Daniel

The Role of Carbon Contamination in Suspended Gold Nanowires Journal Article

MRS Proceedings, 738 , pp. G14–6, 2002.

Resumo | Links | BibTeX | Tags: DFT, Electronic Structure, Linear Atomic Chains, Metallic Nanowires, TEM

 

 

Apresentações em conferências

Curriculum Lattes http://scholar.google.com/citations?hl=en&user=95SvbM8AAAAJ  

Congressos

Curriculum Lattes http://scholar.google.com/citations?hl=en&user=95SvbM8AAAAJ