Publicações

Curriculum Lattes

http://scholar.google.com/citations?hl=en&user=95SvbM8AAAAJ
386 entradas « 1 de 20 »
1.

Malviya, Kirtman D; Oliveira, Eliezer F; Autreto, Pedro A S; Ajayan, Pulickel M; Galvao, D S; Tiwary, Candra S; Chattopadhyay, Kumanio

Mixing the immiscible through high-velocity mechanical impacts: an experimental and theoretical study Journal Article

Em: Journal of Physics D: Applied Physics, 52 (44), pp. 445304, 2019.

Resumo | Links | BibTeX

2.

de Sousa, Jose Moreira; Autreto, Pedro da Silva; Galvao, Douglas Soares

Hydrogenation Dynamics Process of Single-wall Carbon Nanotube Twisted (under review) Journal Article

Em: 2019.

BibTeX

3.

JM; Sousa, Bizao

Elastic Properties of Graphyne-based Nanotubes Online

2019, (ArXiv preprint.).

Resumo | Links | BibTeX

4.

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

Em: 2019.

BibTeX

5.

JM; Sousa, Bizao

Elastic Properties of Graphyne-Based Nanotubes Journal Article

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

Resumo | Links | BibTeX

6.

Arpan; Gumaste Rout, Anurag; Pandey

Bio-inspired Aluminum Composite reinforced with Soft polymer with enhanced strength and plasticity (under review) Journal Article

Em: 2019.

BibTeX

7.

AF; Dantas Fonseca, SO; Galvao

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

2019, (ArXiv preprint).

Resumo | Links | BibTeX

8.

AF; Dantas Fonseca, SO; Galvao

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

Em: 2019.

BibTeX

9.

Routa, Arpan; Pandeyb, Praful; Oliveira, Eliezer Fernando; da Silva Autreto, Pedro Alves; Gumastea, Anurag; Singha, Amit; Galvao, Douglas Soares; Aroraa, Amit; Tiwary, Chandra Sekhar

Atomically locked interfaces of metal (Aluminum) and Polymer (Polypropylene) using mechanical friction Journal Article

Em: Polymer, 169 , pp. 148-153, 2019.

Resumo | BibTeX

10.

Eliezer F; Autreto Oliveira, Pedro AS; Woellner

On the mechanical properties of protomene: A theoretical investigation Journal Article

Em: Computational Materials Science, 161 , pp. 190-198, 2019.

Resumo | BibTeX

11.

Jaques, Ygor M.; Galvao, Douglas S.

Structural Properties of Nanodroplets Impacting Graphene at High Velocities (accepted) Journal Article

Em: Journal of Molecular Liquids, 2019.

Resumo | BibTeX

12.

Sanjit; Ozden Bhowmick, Sehmus; Bizão

High temperature quasistatic and dynamic mechanical behavior of interconnected 3D carbon nanotube structures Journal Article

Em: Carbon, 142 , pp. 291-299, 2019.

Resumo | Links | BibTeX

13.

Solis, Daniel; Damasceno Borges, Daiane; Woellner, Cristiano; Galvao, Douglas

Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures (invited paper) Journal Article

Em: ACS Applied Materials and Interfaces, 11 , pp. 2670−2676, 2019.

Resumo | Links | BibTeX

14.

Eliezer F; Autreto Oliveira, Pedro AS; Woellner

Mechanical Properties of Protomene: A Molecular Dynamics Investigation Journal Article

Em: MRS Advances, 2019.

Resumo | Links | BibTeX

15.

Sean P; Perim Collins, Eric; Daff

Idealized Carbon-Based Materials Exhibiting Record Deliverable Capacities for Vehicular Methane Storage Journal Article

Em: The Journal of Physical Chemistry C, 123 , pp. 1050-1058, 2019.

Resumo | Links | BibTeX

16.

Fonseca, Alexandre F.; Galvao, Douglas S.

Self-tearing and self-peeling of folded graphene nanoribbons Journal Article

Em: Carbon, 143 , pp. 230-239, 2019.

Resumo | Links | BibTeX

17.

Susarla, Sandhya; Manimunda, Praveena; Jaques, Ygor M.; Hachtel, Jordan A.; Idrobo, Juan C.; Asif, S. A. Syed; Galvao, Douglas S.; Tiwary, Chandrasekhar; Ajayan, Pulickel M.

Strain induced structural deformation study of two dimensional MoxW(1-x)S2 Journal Article

Em: Advanced Materials Interfaces (accepted), 2019.

Resumo | BibTeX

18.

Ok-Kyung; Owuor Park, Peter; Morais Jaques

Novel Method to Fabricate Multi-Functional Boron Nitride-Iron-Carbon Nanotube Hybrid Materials for Fabrication of High- Performance Polyimide Composites (under review) Journal Article

Em: 2019.

BibTeX

19.

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

Mechanical Properties and Fracture Patterns of Pentagraphene Membranes (under review) Journal Article

Em: 2019.

BibTeX

20.

Owuor, Peter Samora; Inthong, Suchittra; Sajadi, Seyed Mohammad; Intawin, Pratthana; Chipara, Alin C.; Woellner, Cristiano F.; Sayed, Farheen N.; Tsang, Harvey H.; Stender, Anthony; Vajtai, Robert; Pengpat, Kamonpan; Eitssayeam, Sukum; Galvao, Douglas S.; Lou, Jun; Tiwary, Chandra Sekhar; Ajayan, Pulickel M.

Elastic and ‘transparent bone’ as an electrochemical separator Journal Article

Em: Materials Chemistry Today, 12 , pp. 132-138, 2019.

Resumo | Links | BibTeX

386 entradas « 1 de 20 »

2019

386.
Mixing the immiscible through high-velocity mechanical impacts: an experimental and theoretical study

Malviya, Kirtman D; Oliveira, Eliezer F; Autreto, Pedro A S; Ajayan, Pulickel M; Galvao, D S; Tiwary, Candra S; Chattopadhyay, Kumanio

Mixing the immiscible through high-velocity mechanical impacts: an experimental and theoretical study Journal Article

Em: Journal of Physics D: Applied Physics, 52 (44), pp. 445304, 2019.

Resumo | Links | BibTeX | Tags: Mechanical Properties, Metal, Molecular Dynamics

385.

de Sousa, Jose Moreira; Autreto, Pedro da Silva; Galvao, Douglas Soares

Hydrogenation Dynamics Process of Single-wall Carbon Nanotube Twisted (under review) Journal Article

Em: 2019.

BibTeX | Tags: Carbon Nanotubes, Hydrogenation, Mechanical Properties, Molecular Dynamics

384.
Elastic Properties of Graphyne-based Nanotubes

JM; Sousa, Bizao

Elastic Properties of Graphyne-based Nanotubes Online

2019, (ArXiv preprint.).

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

383.
Elastic Properties of Graphyne-Based Nanotubes

JM; Sousa, Bizao

Elastic Properties of Graphyne-Based Nanotubes Journal Article

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

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

382.

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

Em: 2019.

BibTeX | Tags: C60, Graphene, Molecular Dynamics

381.

Arpan; Gumaste Rout, Anurag; Pandey

Bio-inspired Aluminum Composite reinforced with Soft polymer with enhanced strength and plasticity (under review) Journal Article

Em: 2019.

BibTeX | Tags: Metal, Molecular Dynamics, Polymers

380.
The Structure of Graphene on Graphene/C60/Cu Interfaces: A Molecular Dynamics Study

AF; Dantas Fonseca, SO; Galvao

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

2019, (ArXiv preprint).

Resumo | Links | BibTeX | Tags: C60, Graphene, Molecular Dynamics

379.

AF; Dantas Fonseca, SO; Galvao

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

Em: 2019.

BibTeX | Tags: C60, Graphene, Molecular Dynamics

378.
Atomically locked interfaces of metal (Aluminum) and Polymer (Polypropylene) using mechanical friction

Routa, Arpan; Pandeyb, Praful; Oliveira, Eliezer Fernando; da Silva Autreto, Pedro Alves; Gumastea, Anurag; Singha, Amit; Galvao, Douglas Soares; Aroraa, Amit; Tiwary, Chandra Sekhar

Atomically locked interfaces of metal (Aluminum) and Polymer (Polypropylene) using mechanical friction Journal Article

Em: Polymer, 169 , pp. 148-153, 2019.

Resumo | BibTeX | Tags: Composites, Metal, Molecular Dynamics, Polymers

377.
On the mechanical properties of protomene: A theoretical investigation

Eliezer F; Autreto Oliveira, Pedro AS; Woellner

On the mechanical properties of protomene: A theoretical investigation Journal Article

Em: Computational Materials Science, 161 , pp. 190-198, 2019.

Resumo | BibTeX | Tags: Fracture, Mechanical Properties, Molecular Dynamics, protomene

376.
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

Em: Journal of Molecular Liquids, 2019.

Resumo | BibTeX | Tags: droplets, Graphene, Impact Molecular Dynamics, water

375.
High temperature quasistatic and dynamic mechanical behavior of interconnected 3D carbon nanotube structures

Sanjit; Ozden Bhowmick, Sehmus; Bizão

High temperature quasistatic and dynamic mechanical behavior of interconnected 3D carbon nanotube structures Journal Article

Em: Carbon, 142 , pp. 291-299, 2019.

Resumo | Links | BibTeX | Tags: CNT, Fracture, Mechanical Properties, Molecular Dynamics

374.
Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures (invited paper)

Solis, Daniel; Damasceno Borges, Daiane; Woellner, Cristiano; Galvao, Douglas

Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures (invited paper) Journal Article

Em: ACS Applied Materials and Interfaces, 11 , pp. 2670−2676, 2019.

Resumo | Links | BibTeX | Tags: graphdiynes, Graphynes, Molecular Dynamics, Scrolls

373.
Elastic and ‘transparent bone’ as an electrochemical separator

Owuor, Peter Samora; Inthong, Suchittra; Sajadi, Seyed Mohammad; Intawin, Pratthana; Chipara, Alin C.; Woellner, Cristiano F.; Sayed, Farheen N.; Tsang, Harvey H.; Stender, Anthony; Vajtai, Robert; Pengpat, Kamonpan; Eitssayeam, Sukum; Galvao, Douglas S.; Lou, Jun; Tiwary, Chandra Sekhar; Ajayan, Pulickel M.

Elastic and ‘transparent bone’ as an electrochemical separator Journal Article

Em: Materials Chemistry Today, 12 , pp. 132-138, 2019.

Resumo | Links | BibTeX | Tags: biomaterials, Bone, Characterization, electrodes, Modeling, Molecular Dynamics

372.

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

Mechanical Properties and Fracture Patterns of Pentagraphene Membranes (under review) Journal Article

Em: 2019.

BibTeX | Tags: Fracture, Molecular Dynamics, pentagraphene

371.

Ok-Kyung; Owuor Park, Peter; Morais Jaques

Novel Method to Fabricate Multi-Functional Boron Nitride-Iron-Carbon Nanotube Hybrid Materials for Fabrication of High- Performance Polyimide Composites (under review) Journal Article

Em: 2019.

BibTeX | Tags: Boron Nitride, carbon nanotube, Modeling

370.
Strain induced structural deformation study of two dimensional MoxW(1-x)S2

Susarla, Sandhya; Manimunda, Praveena; Jaques, Ygor M.; Hachtel, Jordan A.; Idrobo, Juan C.; Asif, S. A. Syed; Galvao, Douglas S.; Tiwary, Chandrasekhar; Ajayan, Pulickel M.

Strain induced structural deformation study of two dimensional MoxW(1-x)S2 Journal Article

Em: Advanced Materials Interfaces (accepted), 2019.

Resumo | BibTeX | Tags:

369.
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

Em: Carbon, 143 , pp. 230-239, 2019.

Resumo | Links | BibTeX | Tags: Fracture, Graphene, Mechanical Properties, Molecular Dynamics

368.
Idealized Carbon-Based Materials Exhibiting Record Deliverable Capacities for Vehicular Methane Storage

Sean P; Perim Collins, Eric; Daff

Idealized Carbon-Based Materials Exhibiting Record Deliverable Capacities for Vehicular Methane Storage Journal Article

Em: The Journal of Physical Chemistry C, 123 , pp. 1050-1058, 2019.

Resumo | Links | BibTeX | Tags: Gas Storage, Molecular Dynamics, Monte Carlo, Schwarzites, Scrolls

367.
Mechanical Properties of Protomene: A Molecular Dynamics Investigation

Eliezer F; Autreto Oliveira, Pedro AS; Woellner

Mechanical Properties of Protomene: A Molecular Dynamics Investigation Journal Article

Em: MRS Advances, 2019.

Resumo | Links | BibTeX | Tags: Fracture, Mechanical Properties, Molecular Dynamics, protomene

366.

Nakar, Dekel; Gordeev, Georgy; Machado, Leonardo D.; Popovitz-Biro, Ronit; Rechav, Katya; Oliveira, Eliezer F.; Kusch, Patryk; Jorio, Ado; Galvao, Douglas S.; Reich, Stephanie; Joselevich, Ernesto

Few-Wall Carbon Nanotube Coils (under review) Journal Article

Em: 2019.

BibTeX | Tags: Carbon Nanotubes, Molecular Dynamics, Nanocoils, Raman

2018

365.
Mechanical Properties of Protomene: A Molecular Dynamics Investigation

Pedro AS Autreto Eliezer F Oliveira, Cristiano F Woellner

Mechanical Properties of Protomene: A Molecular Dynamics Investigation Online

2018, (preprint arXiv:1810.09924v1 ).

Resumo | Links | BibTeX | Tags: Fracture, Mechanical Properties, Molecular Dynamics, protomene

364.
 Self-tearing and self-peeling of folded graphene nanoribbons

Alexandre F. Fonseca, Douglas S. Galvao

Self-tearing and self-peeling of folded graphene nanoribbons Online

2018, (preprint arXiv:1808.08872).

Resumo | Links | BibTeX | Tags: Fracture, graphene nanoribbons, Mechanical Properties, Molecular Dynamics

363.
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

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

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

362.
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

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

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

361.
Synthesis and 3D Interconnected Nanostructured h-BN-Based Biocomposites by Low-Temperature Plasma Sintering: Bone Regeneration Applications

Gautam, Chandkiram; Chakravarty, Dibyendu; Woellner, Cristiano F.; Mishra, Vijay Kumar; Ahamad, Naseer; Gautam, Amarendra; Ozden, Sehmus; Jose, Sujin; Biradar, Santosh Kumar; Vajtai, Robert; Trivedi, Ritu; Tiwary, Chandra Sekhar; Galvao, Douglas S.; Ajayan, P. M.

Synthesis and 3D Interconnected Nanostructured h-BN-Based Biocomposites by Low-Temperature Plasma Sintering: Bone Regeneration Applications Journal Article

Em: ACS Omega, 3 (6), pp. 6013–6021, 2018.

Resumo | Links | BibTeX | Tags: BN, Composites, Molecular Dynamics, sintering

360.
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

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

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

359.
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

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

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

358.
Structural Properties of Nanodroplets Impacting Graphene at High Velocities

Ygor M.; Galvao Jaques, Douglas S.

Structural Properties of Nanodroplets Impacting Graphene at High Velocities Online

2018, (Preprint ArXiv:1804.07784).

Resumo | Links | BibTeX | Tags: droplets, Graphene, Impact Molecular Dynamics, water

357.
Liquid Exfoliation of Icosahedral Quasicrystals

Thakur P.; Woellner Yadav, Cristiano F. ; Sinha

Liquid Exfoliation of Icosahedral Quasicrystals Journal Article

Em: Advanced Functional Materials, 2018 , pp. 1801181, 2018.

Resumo | Links | BibTeX | Tags: catalysis, Modeling, quasi-crystals

356.
Experimental and computational investigation of reduced graphene oxide nanoplatelets stabilized in poly(styrene sulfonate) sodium salt

Marco AE Maria Celina M Miyazaki, Daiane Damasceno Borges

Experimental and computational investigation of reduced graphene oxide nanoplatelets stabilized in poly(styrene sulfonate) sodium salt Journal Article

Em: Journal of Materials Science, 53 (14), pp. 10049-10056, 2018.

Resumo | Links | BibTeX | Tags: Molecular Dynamics, Polymers

355.
On the mechanical properties of novamene: a fully atomistic molecular dynamics and DFT investigation

Eliezer F.; Autreto Oliveira, Pedro A. S. ; Woellner

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

354.
Morphology Controlled Graphene-Alloy Nanoparticles Hybrids with Tunable Catalytic Activity

Devi, M. Manolata; Dolai, N.; S, S. Sreehala; 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

Em: Nanoscale, 10 , pp. 8840-8850, 2018.

Resumo | Links | BibTeX | Tags: alloys, Graphene, Modeling, Nanoparticles

353.
Deformation Mechanisms of Vertically Stacked WS2 /MoS2 Heterostructures: The Role of Interfaces

Sandhya; Manimunda Susarla, Praveena; Morais Jaques

Deformation Mechanisms of Vertically Stacked WS2 /MoS2 Heterostructures: The Role of Interfaces Journal Article

Em: ACS Nano, 12 (4), pp. 4036−4044, 2018.

Resumo | Links | BibTeX | Tags: Chalcogenides, Modeling

352.
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

Em: Carbon, 134 (8), pp. 491-499, 2018.

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

351.
Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures

Solis, Daniel; Borges, Daiane D.; Woellner, Cristiano F.; Galvao, Douglas S.

Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures Online

2018, visited: 02.03.2018, (preprint ArXiv: 1803.00154).

Resumo | Links | BibTeX | Tags: graphdiynes, Graphynes, molcular dynamics, Scrolls

350.
Differences in the Mechanical Properties of Monolayer and Multilayer WSe2/MoSe2

Jaques, Y. M.; Manimunda, P.; Nakanishi, Y.; Susarla, S.; Woellner, C. F.; Bhowmick, S.; Asif, S. A. S.; Galvao, D. S.; Tiwary, C. S.; Ajayan, P. M.

Differences in the Mechanical Properties of Monolayer and Multilayer WSe2/MoSe2 Journal Article

Em: MRS Advances, 3 (6-7), pp. 373-378, 2018.

Resumo | Links | BibTeX | Tags: Chalcogenides, Modeling

349.
Efficient prediction of suitable functional monomers for molecular imprinting via local density of states calculations

Zink, Stefan; Moura, Francisco Alirio; da Silva Autreto, Pedro Alves; Galvão, Douglas Soares; Mizaikoff, Boris

Efficient prediction of suitable functional monomers for molecular imprinting via local density of states calculations Journal Article

Em: Physical Chemistry Chemical Physics, 20 , pp. 13153–13158, 2018.

Resumo | Links | BibTeX | Tags: MIPs, Polymer, TIE

348.
Virtually Imprinted Polymers (VIPs): Understanding Molecularly Templated Materials via Molecular Dynamics Simulations

Zink, Stefan; Moura, Francisco Alirio; da Silva Autreto, Pedro Alves; Galvao, Douglas Soares; Mizaikoff, Boris

Virtually Imprinted Polymers (VIPs): Understanding Molecularly Templated Materials via Molecular Dynamics Simulations Journal Article

Em: Physical Chemistry Chemical Physics, 20 , pp. 13145-13152, 2018.

Resumo | Links | BibTeX | Tags: MIPs, Molecular Dynamics

347.
Structural Transformations of Carbon and Boron Nitride Nanoscrolls at High Impact Collisions

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

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

Em: Physical Chemistry Chemical Physics, 20 , pp. 4911-4916, 2018.

Resumo | Links | BibTeX | Tags: Fracture, impact, Molecular Dynamics, scroll

346.
Schwarzites for Natural Gas Storage: A Grand-Canonical Monte Carlo Study

Borges, Daiane Damasceno; Galvao, Douglas S.

Schwarzites for Natural Gas Storage: A Grand-Canonical Monte Carlo Study Journal Article

Em: MRS Advances, 3 (1-2), pp. 115-120, 2018.

Resumo | Links | BibTeX | Tags: Gas Storage, Mechanical Properties, Molecular Dynamics, Monte Carlo, Schwarzites

345.
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

Em: MRS Advances, 3 (1-2), pp. 109-114, 2018.

Resumo | Links | BibTeX | Tags: Filtration, Graphene, Molecular Dynamics

344.
Defect-Free Carbon Nanotube Coils

Shadmi, Nitzan; Kremen, Anna; Frenkel, Yiftach; Lapin, Zachary J.; Machado, Leonardo D.; Legoas, Sergio B.; Bitton, Ora; Rechav, Katya; Popovitz-Biro, Ronit; Galvão, Douglas S.; Jorio, Ado; Novotny, Lukas; Kalisky, Beena; Joselevich, Ernesto

Defect-Free Carbon Nanotube Coils Online

2018, (reprint Nano Letters v16, 2152 (2016)).

Resumo | Links | BibTeX | Tags: Carbon Nanotubes, Modeling, Nanocoils

343.
On hardening silver nanocubes by high velocity impacts: a fully atomistic molecular dynamics investigation

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

On hardening silver nanocubes by high velocity impacts: a fully atomistic molecular dynamics investigation Journal Article

Em: Journal of Materials Science, 53 (10), pp. 7486–7492, 2018.

Resumo | Links | BibTeX | Tags: Fracture, impact, Molecular Dynamics, silver

342.
Mechanical Properties of Pentagraphene-based Nanotubes: A Molecular Dynamics Study

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

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

Em: MRS Advances, 3 (1-2), pp. 97-102, 2018.

Resumo | Links | BibTeX | Tags: Fracture, Molecular Dynamics, pentagraphene

341.
Insights on the mechanism of water-alcohol separation in multilayer graphene oxide membranes: entropic versus enthalpic factors

Cristiano F Woellner Daiane Damasceno Borges, Pedro AS Autreto

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

Em: Carbon, 127 , pp. 280-286, 2018.

Resumo | Links | BibTeX | Tags: Filtration, Graphene, Molecular Dynamics

340.
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

Em: MRS Advances, 3 (8-9), pp. 460-465, 2018.

Resumo | Links | BibTeX | Tags: Fracture, Graphene, Molecular Dynamics

339.
Mechanical Properties of Schwarzites - A Fully Atomistic Reactive Molecular Dynamics Investigation

Woellner, Cristiano F.; Botari, Tiago; Perim, Eric; Galvao, Douglas S.

Mechanical Properties of Schwarzites - A Fully Atomistic Reactive Molecular Dynamics Investigation Journal Article

Em: MRS Advances, pp. 1-6, 2018.

Resumo | Links | BibTeX | Tags: Mechanical Properties, Molecular Dynamics, Schwarzites

338.
Mechanical Properties of Ultralow Density Graphene Oxide/Polydimethylsiloxane Foams

Woellner, Cristiano F.; Owuor, Peter S.; Li, Tong; Vinod, Soumya; Ozden, Sehmus; Kosolwattana, Suppanat; Bhowmick, Sanjit; Duy, Luong X.; Salvatierra, Rodrigo V.; Wei, Bingqing; Asif, Syed A. S.; Tour, James M.; Vajtai, Robert; Lou, Jun; Galvão, Douglas S.; Tiwary, Chandra S.; Ajayan, Pulickel. M.

Mechanical Properties of Ultralow Density Graphene Oxide/Polydimethylsiloxane Foams Journal Article

Em: MRS Advances, 3 (1-2), pp. 61-66, 2018.

Resumo | Links | BibTeX | Tags: foams, Mechanical Properties, Molecular Dynamics

337.
Molecular Dynamics Simulations of Ballistic Penetration of Pentagraphene Sheets

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

Molecular Dynamics Simulations of Ballistic Penetration of Pentagraphene Sheets Online

2018, (preprint arXiv:1801.05346).

Resumo | Links | BibTeX | Tags: Fracture, Molecular Dynamics, pentagraphene

336.
Mechanical Properties of Schwarzites - A Fully Atomistic Reactive Molecular Dynamics Investigation

Woellner, Cristiano F.; Botari, Tiago; Perim, Eric; Galvao, Douglas S.

Mechanical Properties of Schwarzites - A Fully Atomistic Reactive Molecular Dynamics Investigation Online

2018, (preprint arXiv:1801.05639).

Resumo | Links | BibTeX | Tags: Mechanical Properties, Molecular Dynamics, Schwarzites

335.
Differences in the Mechanical Properties of Monolayer and Multilayer WSe2/MoSe2

Jaques, Y. M.; Manimunda, P.; Nakanishi, Y.; Susarla, S.; Woellner, C. F.; Bhowmick, S.; Asif, S. A. S.; Galvao, D. S.; C. S. Tiwary,; Ajayan, P. M.

Differences in the Mechanical Properties of Monolayer and Multilayer WSe2/MoSe2 Online

2018, (preprint arXiv:1801.05641).

Resumo | Links | BibTeX | Tags: Chalcogenides, Mechanical Properties, Modeling

334.
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).

Resumo | Links | BibTeX | Tags: Fracture, Graphene, Molecular Dynamics

333.
Mechanical Properties of Phagraphene Membranes: A Fully Atomistic Molecular Dynamics Investigation

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

Em: MRS Advances, 3 (1-2), pp. 67-72, 2018.

Resumo | Links | BibTeX | Tags: Fracture, Molecular Dynamics, phagraphene

332.
Mechanical Properties of Pentagraphene-based Nanotubes: A Molecular Dynamics Study

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).

Resumo | Links | BibTeX | Tags: Fracture, Molecular Dynamics, Nanotubes, pentagraphene

331.
Improving Graphene-metal Contacts: Thermal Induced Polishing

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).

Resumo | Links | BibTeX | Tags: contacts, Graphene, Molecular Dynamics, thermal properties

330.
High Stiffness Polymer Composite with Tunable Transparency

Owuor, Peter; Chaudhary, Varun; Woellner, Cristiano F; Ramanujan, R V; Stender, Anthony S; Soto, Matias; Ozden, Sehmus; Barrera, Enrique; Vajtai, Robert; Galvao, Douglas; Lou, Jun; Sharma, V; Ajayan, Pulickel M

High Stiffness Polymer Composite with Tunable Transparency Journal Article

Em: Materials Today, 21 (5), pp. 475-482, 2018.

Resumo | Links | BibTeX | Tags: Composites, Polymer

329.
Mechanical Properties of Phagraphene Membranes: A Fully Atomistic Molecular Dynamics Investigation

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).

Resumo | Links | BibTeX | Tags: Fracture, Mechanical Properties, Molecular Dynamics, phagraphene

328.
Mechanical Properties of Pentagraphene-based Nanotubes: A Molecular Dynamics Study

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).

Resumo | Links | BibTeX | Tags: Fracture, Molecular Dynamics, pentagraphene

327.
Molecular Dynamics Simulations of Ballistic Penetration of Pentagraphene Sheets

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

Molecular Dynamics Simulations of Ballistic Penetration of Pentagraphene Sheets Journal Article

Em: MRS Advances, 3 (8-9), pp. 431-435, 2018.

Resumo | Links | BibTeX | Tags: Fracture, Molecular Dynamics, pentagraphene

326.
Hybrid 2D Nanostructures for Mechanical Reinforcement and Thermal Conductivity Enhancement in Polymer Composite

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

Em: Composites Science and Technology, 159 (5), pp. 103-110, 2018.

Resumo | Links | BibTeX | Tags: Composites, Molecular Dynamics

325.
Silver Hardening via Hypersonic Impacts

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

Silver Hardening via Hypersonic Impacts Journal Article

Em: MRS Advances, 3 (8-9), pp. 489-494, 2018.

Resumo | Links | BibTeX | Tags: Fracture, impact, Molecular Dynamics, silver

324.
Improving Graphene-metal Contacts: Thermal Induced Polishing

Oliveira, Eliezer Fernando; Paupitz, Ricardo; da Silva Autreto, Pedro Alves; Moshkalev, Stanislav; Galvao, Douglas Soares

Improving Graphene-metal Contacts: Thermal Induced Polishing Journal Article

Em: MRS Advances, 3 (1-2), pp. 73-78, 2018.

Resumo | Links | BibTeX | Tags: contacts, Graphene, Molecular Dynamics, thermal properties

2017

323.
Structural Transformations of Carbon and Boron Nitride Nanoscrolls at High Impact Collisions

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).

Resumo | Links | BibTeX | Tags: Fracture, impacts, Molecular Dynamics, Scrolls

322.
Multifunctional Hybrids Based on 2D Fluorinated Graphene Oxide and Superparamagnetic Iron Oxide Nanoparticles

Parambath M Sudeep Sruthi Radhakrishnan, Jun Hyoung Park; Ajayan, Pulickel M

Multifunctional Hybrids Based on 2D Fluorinated Graphene Oxide and Superparamagnetic Iron Oxide Nanoparticles Journal Article

Em: Particle & Particle Systems Characterization, 34 (11), pp. 1700245, 2017.

Resumo | Links | BibTeX | Tags: Modeling, Nanoparticles

321.
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

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

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

320.
Gas Adsorption and Separation by the Al-based Metal-Organic Framework MIL-160

BORGES, Daiane DAMASCENO; NORMAND, Perine; PERMIAKOVA, Anastasia; BABARAO, Ravichandar; HEYMANS, Nicolas; GALVAO, Douglas S.; SERRE, Christian; WEIRELD, Guy DE; MAURIN, Guillaume

Gas Adsorption and Separation by the Al-based Metal-Organic Framework MIL-160 Journal Article

Em: Journal of Physical Chemistry C, 121 (48), pp. 26822–26832, 2017.

Resumo | Links | BibTeX | Tags: MOFs, Simulation

319.
Multi-scale Geometric Design Principles Applied to 3D Printed Schwartizes

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

Em: Advanced Materials, 2017 , pp. 1704820, 2017.

Resumo | Links | BibTeX | Tags: 3D printing, Mechanical Properties, Molecular Dynamics, Schwarzites

318.
Nanoscale deformation and friction characteristics of atomically thin WSe2 and heterostructure using nanoscratch and Raman spectroscopy

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

Em: 2D Materials, 4 (4), pp. 045005, 2017.

Resumo | Links | BibTeX | Tags: Chalcogenides, Heterostructures, Molecular Dynamics

317.
Lightweight Hexagonal Boron Nitride Foam for CO2 Absorption

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

Em: ACS Nano, 11 (8), pp. 8944–8952, 2017.

Resumo | Links | BibTeX | Tags: foams, Mechanical Properties, Molecular Dynamics

316.
Insights on the mechanism of water-alcohol separation in multilayer graphene oxide membranes: entropic versus enthalpic factors

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

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

2017, (preprint arXiv:1702.00250).

Resumo | Links | BibTeX | Tags: Filtration, Graphene Membranes, Molecular Dyanmics

315.
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).

Resumo | Links | BibTeX | Tags: Graphene, Molecular Dynamics, Polymers

314.
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

Em: Carbon, 119 , pp. 431-437, 2017, (See also ArxIv version: https://arxiv.org/abs/1702.01100).

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

313.
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

312.
High Toughness in Ultralow Density Graphene Oxide Foam

Cristiano F Woellner Peter Samora Owuor, Tong Li

High Toughness in Ultralow Density Graphene Oxide Foam Journal Article

Em: Advanced Materials Interfaces, 4 (10), pp. 1700030, 2017.

Resumo | Links | BibTeX | Tags: foams, graphene oxide, Mechanical Properties, Molecular Dynamics

311.
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

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

Resumo | Links | BibTeX | Tags: Graphene, Hydrogenation, Molecular Dynamics

310.
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

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

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

309.
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).

Resumo | Links | BibTeX | Tags: Graphene, Mechanical Properties, Molecular Dynamics, Nanowiggles

308.
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).

Resumo | Links | BibTeX | Tags: Graphene, Molecular Dynamics, water

307.
Mechanical and Thermal Stability of Graphyne and Graphdiyne Nanoscrolls

Solis, Daniel; Woellner, Cristiano F; Borges, Daiane D; Galvao, Douglas S

Mechanical and Thermal Stability of Graphyne and Graphdiyne Nanoscrolls Journal Article

Em: MRS Advances, 2017 , pp. 129-134, 2017.

Resumo | Links | BibTeX | Tags: graphdiyne, Graphyne, Molecular Dynamics, Scrolls

306.
Permeation of Water Nanodroplets on Carbon Nanotubes Forests

Jaques, Ygor M; Galvao, Douglas S

Permeation of Water Nanodroplets on Carbon Nanotubes Forests Journal Article

Em: MRS Advances, 2017 , pp. 123-128, 2017.

Resumo | Links | BibTeX | Tags: cnt forests, Droplet, Molecular Dynamics

305.
Nanodroplets Behavior on Graphdiyne Membranes

Jaques, Ygor M; Galvao, Douglas S

Nanodroplets Behavior on Graphdiyne Membranes Journal Article

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

Resumo | Links | BibTeX | Tags: Droplet, graphdiynes, Molecular Dynamics, water

304.
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).

Resumo | Links | BibTeX | Tags: ballistic impacts, Fracture, Graphene, Molecular Dynamics

303.
Structural Reinforcement through Liquid Encapsulation

Peter Samora Owuor Alin Cristian Chipara, Sanjit Bhowmick

Structural Reinforcement through Liquid Encapsulation Journal Article

Em: Advanced Materials Interfaces, 4 , pp. 1600781, 2017.

Resumo | Links | BibTeX | Tags: Mechanical Properties, Molecular Dynamics, solid-liquid interfaces

302.
Silver Hardening via Hypersonic Impacts

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

Silver Hardening via Hypersonic Impacts Online

2017, (preprint arXiv:1801.04780).

Resumo | Links | BibTeX | Tags: Fracture, impact, Molecular Dynamics, silver

301.
One-step electrodeposited 3D-ternary composite of zirconia nanoparticles, rGO and polypyrrole with enhanced supercapacitor performance

Alves, Ana Paula P; Koizumi, Ryota; Samanta, Atanu; Machado, Leonardo D; Singh, Abhisek K; Galvao, Douglas S; Silva, Glaura G; Tiwary, Chandra S; Ajayan, Pulickel M

One-step electrodeposited 3D-ternary composite of zirconia nanoparticles, rGO and polypyrrole with enhanced supercapacitor performance Journal Article

Em: Nano Energy, 31 , pp. 225-232, 2017.

Resumo | Links | BibTeX | Tags: Molecular Dynamics, Polymers, supercapacitors, Zirconia

2016

300.
Enhanced supercapacitor performance of a 3D architecture tailored using atomically thin rGO–MoS 2 2D sheets

Chandra Sekhar Tiwary Sujin P Jose, Suppanat Kosolwattana

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

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

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

299.
Synthesis and porous h-BN 3D architectures for effective humidity and gas sensors Authors

P. M. Gautam, Chandkiram; Tiwary, Chandra Sekhar; Machado, Leonardo D.; Jose, Sujin; Ozden, Sehmus; Biradar, Santoshkumar; Galvao, Douglas S.; Sonker, Rakesh K.; Yadav, B. C.; Vajtai, Robert; Ajayan,

Synthesis and porous h-BN 3D architectures for effective humidity and gas sensors Authors Journal Article

Em: RSC Advances, 6 (91), pp. 87888-87896, 2016.

Resumo | Links | BibTeX | Tags: Boron Nitride tubes, Modeling, Molecular Dynamics, Sensors

298.
Ballistic Fracturing of Carbon Nanotubes

Leonardo D Machado Sehmus Ozden, ChandraSekhar Tiwary

Ballistic Fracturing of Carbon Nanotubes Journal Article

Em: ACS Applied Materials & Interfaces, 8 (37), pp. 24819-24825, 2016.

Resumo | Links | BibTeX | Tags: Ballistic Impact, Carbon Nanotubes, Molecular Dynamics

297.
A generic approach for mechano-chemical reactions between carbon nanotubes of different functionalities

Chandra Sekhar Tiwary Mohamad A Kabbani, Anirban Som

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

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

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

296.
3D Porous Graphene by Low-Temperature Plasma Welding for Bone Implants

Chandra Sekhar Tiwary Dibyendu Chakravarty, Cristano F Woellner

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

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

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

295.
Solid–Vapor Reaction Growth of Transition‐Metal Dichalcogenide Monolayers

Yongji Gong Bo Li, Zhili Hu

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

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

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

294.
Mechano-chemical stabilization of three-dimensional carbon nanotube aggregates

Amelia HC Hart Ryota Koizumi, Gustavo Brunetto

Mechano-chemical stabilization of three-dimensional carbon nanotube aggregates Journal Article

Em: Carbon, 110 , pp. 27-33, 2016.

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

293.
Synthesis of ultralow density 3D graphene–CNT foams using a two-step method

Chandra Sekhar Tiwary Soumya Vinod, Leonardo D Machado

Synthesis of ultralow density 3D graphene–CNT foams using a two-step method Journal Article

Em: Nanoscale, 8 (35), pp. 15857-15863, 2016.

Resumo | Links | BibTeX | Tags: Carbon Nanotubes, foams, Molecular Dynamics

292.
Mechanical and structural properties of graphene-like carbon nitride sheets

T Botari JM de Sousa, E Perim

Mechanical and structural properties of graphene-like carbon nitride sheets Journal Article

Em: RSC Advances, 6 (80), pp. 76915-76921, 2016.

Resumo | Links | BibTeX | Tags: carbon nitrides sheets, Mechanical Properties, Molecular Dynamics

291.
Strong, Twist‐Stable Carbon Nanotube Yarns and Muscles by Tension Annealing at Extreme Temperatures

Shaoli Fang Jiangtao Di, Francisco A Moura

Strong, Twist‐Stable Carbon Nanotube Yarns and Muscles by Tension Annealing at Extreme Temperatures Journal Article

Em: Advanced Materials, 28 (31), pp. 6598-6605, 2016.

Resumo | Links | BibTeX | Tags: Artificial Muscles, Carbon Nanotubes, Modeling

290.
Giant and Tunable Anisotropy of Nanoscale Friction in Graphene

Rodrigo Prioli Clara M Almeida, Benjamin Fragneaud

Giant and Tunable Anisotropy of Nanoscale Friction in Graphene Journal Article

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

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

289.
Graphone (one-side hydrogenated graphene) formation on different substrates

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

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

2016.

Resumo | Links | BibTeX | Tags: Graphene, graphone, Molecular Dynamics

288.
The structural and dynamical aspects of boron nitride nanotubes under high velocity impacts

Sehmus Ozden Leonardo D Machado, ChandraSekhar Tiwary

The structural and dynamical aspects of boron nitride nanotubes under high velocity impacts Journal Article

Em: Physical Chemistry Chemical Physics, 18 , pp. 14776-14781, 2016.

Resumo | Links | BibTeX | Tags: Ballistic Impact, Boron Nitride tubes, CNT, Fracture, Molecular Dynamics

287.
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

Em: Carbon, 99 , pp. 302-309, 2016.

Resumo | Links | BibTeX | Tags: Graphene, healing, Molecular Dynamics

286.
Defect-Free Carbon Nanotube Coils

Anna Kremen Nitzan Shadmi, Yiftach Frenkel; Joselevich, Ernesto

Defect-Free Carbon Nanotube Coils Journal Article

Em: Nano Letters, 16 (4), pp. 2152–2158, 2016.

Resumo | Links | BibTeX | Tags: CNT, Coils, Molecular Dynamics, Synthesis, TEM

285.
Controlled 3D Carbon Nanotube Structures by Plasma Welding

Gustavo Brunetto Sehmus Ozden, N. S. Karthiselva

Controlled 3D Carbon Nanotube Structures by Plasma Welding Journal Article

Em: Advanced Materials Interfaces, 2016 , pp. 1500755, 2016.

Resumo | Links | BibTeX | Tags: 3D networks, Carbon Nanotubes, Elasticity, Molecular Dynamics

284.
Carbon Nanoscrolls at High Impacts: A Molecular Dynamics Investigation

Leonardo Dantas Machado José Moreira de Sousa, Cristiano Francisco Woellner; Galvao, Douglas S.

Carbon Nanoscrolls at High Impacts: A Molecular Dynamics Investigation Journal Article

Em: MRS Advances, 2016 , 2016.

Resumo | Links | BibTeX | Tags: Impact Molecular Dynamics, nanoscrolls

283.
Nanodroplets Impacting on Graphene

Ygor M. Jaques, Gustavo Brunetto; Galvão, Douglas S.

Nanodroplets Impacting on Graphene Journal Article

Em: MRS Advances, 2016 , 2016.

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

282.
One Side-Graphene Hydrogenation (Graphone): Substrate Effects

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

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

Em: MRS Advances, 2016 , 2016.

Resumo | Links | BibTeX | Tags: Graphane, Graphene, graphone, Molecular Dynamics

281.
Evaluation of carbon nanoscroll materials for post-combustion CO2 capture

Daff, Thomas D; Collins, Sean P; Durekova, Hana; Perim, E; Skaf, Munir S; Galvão, Douglas S; Woo, Tom K

Evaluation of carbon nanoscroll materials for post-combustion CO2 capture Journal Article

Em: Carbon, 101 , pp. 218–225, 2016.

Resumo | Links | BibTeX | Tags: CO2 capture, Molecular Dynamics, Scrolls

280.
Nanodroplets Impacting on Graphene

Jaques, Ygor M.; Brunetto, Gustavo; Galvao, Douglas S.

Nanodroplets Impacting on Graphene Online

2016, ((ArXiv preprint)).

Resumo | Links | BibTeX | Tags: Droplet, Graphene, Molecular Dynamics

279.
Surface functionalization of two-dimensional metal chalcogenides by Lewis acid–base chemistry

Xifan Wang Sidong Lei, Bo Li

Surface functionalization of two-dimensional metal chalcogenides by Lewis acid–base chemistry Journal Article

Em: Nature Nanotechnology, 11 , pp. 465–471, 2016.

Resumo | Links | BibTeX | Tags: Chalcogenides, Modelling, Synthesis, top20

278.
Carbon Nanoscrolls at High Impacts: A Molecular Dynamics Investigation

de Sousa, Jose Moreira; Machado, Leonardo Dantas; Woellner, Cristiano Francisco; Autreto, Pedro Alves da Silva; Galvao, Douglas S

Carbon Nanoscrolls at High Impacts: A Molecular Dynamics Investigation Online

2016, ((ArXiv Preprint)).

Resumo | Links | BibTeX | Tags: Ballistic Impact, Molecular Dynamics, Scrolls

277.
One Side-Graphene Hydrogenation (Graphone): Substrate Effects

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

One Side-Graphene Hydrogenation (Graphone): Substrate Effects Online

2016, visited: 18.01.2016, ((ArXiv preprint)).

Resumo | Links | BibTeX | Tags: Graphane, Graphene, graphone, Molecular Dynamics

276.
Strain Rate Dependent Shear Plasticity in Graphite Oxide

Vinod, Soumya; Tiwary, Chandra Sekhar; Machado, Leonardo Dantas; Ozden, Sehmus; Shaw, Preston; Cho, Juny; Vajtai, Robert; Galvao, Douglas Soares; Ajayan, Pulickel M

Strain Rate Dependent Shear Plasticity in Graphite Oxide Journal Article

Em: Nano Letters, 16 (2), pp. 1127–1131, 2016.

Resumo | Links | BibTeX | Tags: graphene oxide, Molecular Dynamics, plasticity

275.
Torsional “superplasticity” of graphyne nanotubes

G. Brunetto J.M. de Sousa, V. R. Coluci

Torsional “superplasticity” of graphyne nanotubes Journal Article

Em: Carbon, 96 , pp. 14-19, 2016.

Resumo | Links | BibTeX | Tags: Fracture, Graphynes, Mechanical Properties, Nanotubes

274.
A Solid-liquid Self-adaptive Polymeric Composite

Dong, Pei; Chipara, Alin Cristian; Loya, Phillip; Yang, Yingchao; Ge, Liehui; Lei, Sidong; Li, Bo; Brunetto, Gustavo; Machado, Leonardo Dantas; Hong, Liang; others,

A Solid-liquid Self-adaptive Polymeric Composite Journal Article

Em: ACS Applied Materials & Interfaces, 8 (3), pp. 2142–2147, 2016.

Resumo | Links | BibTeX | Tags: Adhesives, Modelling, Polymers

2015

273.
Hydrogenation Dynamics of Twisted Carbon Nanotubes

de Sousa, Jose M.; Autreto, Pedro A. S.; Galvao, Douglas S.

Hydrogenation Dynamics of Twisted Carbon Nanotubes Online

2015, (ArXiv preprint).

Resumo | Links | BibTeX | Tags: Carbon Nanotubes, Hydrogenation, Mechanical Properties, Molecular Dynamics

272.
Torsional "Superplasticity" of Graphyne Nanotubes

Gustavo Brunetto Jose M. de Sousa, Vitor R. Coluci

Torsional "Superplasticity" of Graphyne Nanotubes Online

2015, (ArXiv reprint of Torsional "Superplasticity" of Graphyne Nanotubes, published in Carbon 96, 14 (2016).).

Resumo | Links | BibTeX | Tags: Allotropes, Graphynes, Mechanical Properties, Nanotubes

271.
Hierarchically buckled sheath-core fibers for superelastic electronics, sensors, and muscles

S Fang ZF Liu, FA Moura

Hierarchically buckled sheath-core fibers for superelastic electronics, sensors, and muscles Journal Article

Em: Science, 349 (6246), pp. 404-404, 2015.

Resumo | Links | BibTeX | Tags: Carbon Nanotube Forests, Finite Elements, Superelastic, top20

270.
Zirconia-Nanoparticle-Reinforced Morphology-Engineered Graphene-Based Foams

Chandra Sekhar Tiwary Dibyendu Chakravarty, Leonardo Dantas Machado

Zirconia-Nanoparticle-Reinforced Morphology-Engineered Graphene-Based Foams Journal Article

Em: Advanced Materials, 27 (31), pp. 4534–4543, 2015.

Resumo | Links | BibTeX | Tags: Electronic Structure, Mechanical Properties, Mole, Molecular Dynamics, Nanoparticles, Zirconia

269.
Chemical Vapor Deposition of Monolayer Rhenium Disulfide (ReS2)

Yongji Gong Kunttal Keyshar, Gonglan Ye

Chemical Vapor Deposition of Monolayer Rhenium Disulfide (ReS2) Journal Article

Em: Advanced Materials, 27 (31), pp. 4640–4648, 2015.

Resumo | Links | BibTeX | Tags: Electronic Structure, Rhenium Disulfide, Synthesis

268.
Burning Graphene Layer-by-Layer

Andrei V Alaferdov Victor A Ermakov, Alfredo R Vaz

Burning Graphene Layer-by-Layer Journal Article

Em: Nature Scientific Reports, 5 , pp. 11546, 2015.

Resumo | Links | BibTeX | Tags: Burning, Graphene, Molecular Dynamics, TEM

267.
Enhanced Mechanical Stability of Gold Nanotips through Carbon Nanocone Encapsulation

Wesller G Schmidt Abraham G Cano-Marquez, Jenaina Ribeiro-Soares

Enhanced Mechanical Stability of Gold Nanotips through Carbon Nanocone Encapsulation Journal Article

Em: Nature Scientific Reports, 5 , pp. 10408, 2015.

Resumo | Links | BibTeX | Tags: Gold Nanotips, Molecular Dynamics, Nanocones

266.
Ambient solid-state mechano-chemical reactions between functionalized carbon nanotubes

Chandra Sekhar Tiwary Mohamad A Kabbani, Pedro AS Autreto

Ambient solid-state mechano-chemical reactions between functionalized carbon nanotubes Journal Article

Em: Nature Communications, 6 , pp. 7291, 2015.

Resumo | Links | BibTeX | Tags: Carbon Nanotubes, Chemical Reactions, Electronic Structure, Molecular Dynamics, top20

265.
Linear Carbon Chains Under High Pressure Conditions

Acrísio L Aguiar Nadia Ferreira Andrade, Yoong Ahm Kim

Linear Carbon Chains Under High Pressure Conditions Journal Article

Em: The Journal of Physical Chemistry C, 119 (19), pp. 10669–10676, 2015.

Resumo | Links | BibTeX | Tags: Atomic Chains, Carbon Nanotubes, Electronic Structure, Molecular Dynamics, Raman

264.
Surface effects on the mechanical elongation of AuCu nanowires: De-alloying and the formation of mixed suspended atomic chains

PAS Autreto MJ Lagos, J Bettini

Surface effects on the mechanical elongation of AuCu nanowires: De-alloying and the formation of mixed suspended atomic chains Journal Article

Em: Journal of Applied Physics, 117 (9), pp. 094301, 2015.

Resumo | Links | BibTeX | Tags: Metallic Nanowires, Molecular Dynamics, TEM, Theory of Electronic Indices

263.
Novel Nanoscroll Structures from Carbon Nitride Layers

Eric Perim, Douglas S. Galvao

Novel Nanoscroll Structures from Carbon Nitride Layers Online

2015, (ArXiv Draft MRS Proceedings, 1726, mrsf14-1726-j05-02 (2015)).

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

262.
A Brief Review on Syntheses, Structures and Applications of Nanoscrolls

L. D. Machado E. Perim, D. S. Galvao

A Brief Review on Syntheses, Structures and Applications of Nanoscrolls Online

2015, (ArXiv draft of Frontiers in Materials, 1 pp. 31, 2014).

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

261.
Site dependent hydrogenation in Graphynes: A Fully Atomistic Molecular Dynamics Investigation

Pedro A. S. Autreto, Douglas S. Galvao

Site dependent hydrogenation in Graphynes: A Fully Atomistic Molecular Dynamics Investigation Online

2015, (ArXiv draft of MRS Proceedings, 1726, mrsf14-1726-j02-02 (2015)).

Resumo | Links | BibTeX | Tags: Graphynes, Hydrogenation, Molecular Dynamics

260.
The Influence of Morphology on the Charge Transport in Two-Phase Disordered Organic Systems

Leonardo D. Machado Cristiano F. Woellner, Pedro A. S. Autreto

The Influence of Morphology on the Charge Transport in Two-Phase Disordered Organic Systems Online

2015, (ArXiv draft of MRS Proceedings, 1737, mrsf14-1737-u18-21 (2015)).

Resumo | Links | BibTeX | Tags: Conducting Polymers, Monte Carlo, Transport

259.
The Influence of Morphology on the Charge Transport in Two-Phase Disordered Organic Systems

Leonardo D Machado Cristiano F Woellner, Pedro AS Autreto

The Influence of Morphology on the Charge Transport in Two-Phase Disordered Organic Systems Proceeding

1737 (mrsf14-1737-u18-21), 2015, (MRS Proceedings, 1737, mrsf14-1737-u18-21).

Resumo | Links | BibTeX | Tags: Conducting Polymers, Monte Carlo, Solar Cells

258.
Site Dependent Hydrogenation in Graphynes: A Fully Atomistic Molecular Dynamics Investigation

Pedro A. S. Autreto, Douglas S. Galvao

Site Dependent Hydrogenation in Graphynes: A Fully Atomistic Molecular Dynamics Investigation Proceeding

1726 (mrsf14-1726-j02-02), 2015, (MRS Proceedings, 1726, mrsf14-1726-j02-02 ).

Resumo | Links | BibTeX | Tags: Graphynes, Hydrogenation, Molecular Dynamics

257.
Novel Nanoscroll Structures from Carbon Nitride Layers

Eric Perim, Douglas S. Galvao

Novel Nanoscroll Structures from Carbon Nitride Layers Proceeding

1726 (mrsf14-1726-j05-02), 2015, (MRS Proceedings, 1726, mrsf14-1726-j05-02 ).

Resumo | Links | BibTeX | Tags: carbon nitride, Molecular Dynamics, nanoscrolls

256.
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).

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

2014

255.
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

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

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

254.
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

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

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

253.
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

Em: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16 (36), pp. 19417–19423, 2014.

Resumo | Links | BibTeX | Tags: Fracture, Germanene, Graphene, Mechanical Properties, Silicene

252.
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.

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

251.

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

Species fractionation in atomic chains from mechanically stretched alloys Journal Article

Em: JOURNAL OF PHYSICS-CONDENSED MATTER, 26 (43), 2014, ISSN: 0953-8984.

Resumo | BibTeX | Tags:

250.
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

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

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

249.
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

Em: EPL (Europhysics Letters), 105 (5), pp. 56002, 2014.

Resumo | Links | BibTeX | Tags: Graphene, Nanoscale Effects, Scrolls

248.
Novel Semiconducting Silicon and Germanium Nanotubes

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

Novel Semiconducting Silicon and Germanium Nanotubes Journal Article

Em: arXiv preprint arXiv:1403.2061, 2014.

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

247.
Graphene-like Membranes: From Impermeable to Selective Sieves

Brunetto, G; Galvao, DS

Graphene-like Membranes: From Impermeable to Selective Sieves Proceeding

Cambridge University Press,