Publications

386 entries « 2 of 20 »
21. 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). In: 2019. (Type: Journal Article | BibTeX)
22. Eliezer F Oliveira Pedro AS Autreto, Cristiano Woellner Douglas Galvao F S: Mechanical Properties of Protomene: A Molecular Dynamics Investigation. 2018, (preprint arXiv:1810.09924v1 ). (Type: Online | Abstract | Links | BibTeX)
23. Alexandre F. Fonseca, Douglas Galvao S: Self-tearing and self-peeling of folded graphene nanoribbons. 2018, (preprint arXiv:1808.08872). (Type: Online | Abstract | Links | BibTeX)
24. 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. In: Materials Today Chemistry, 9 , pp. 149-157, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
25. 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. In: Carbon, 139 , pp. 782-788, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
26. 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. In: ACS Omega, 3 (6), pp. 6013–6021, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
27. 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. In: Nature Nanotechnology, 13 , pp. 602–610, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
28. 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. In: Nature Scientific Reports, 8 , pp. 6750, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
29. Jaques Ygor M.; Galvao, Douglas S: Structural Properties of Nanodroplets Impacting Graphene at High Velocities. 2018, (Preprint ArXiv:1804.07784). (Type: Online | Abstract | Links | BibTeX)
30. Yadav Thakur P.; Woellner, Cristiano Sinha Shyam Sharifi Tiva; Apte Amey; Mukhopadhyay Nilay Srivastava Onkar Vajtai Robert; Galvao Douglas Tiwary Chandra Ajayan Pulickel F ; K ; K ; N ; S ; S ; M: Liquid Exfoliation of Icosahedral Quasicrystals. In: Advanced Functional Materials, 2018 , pp. 1801181, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
31.de Celina M Miyazaki Marco AE Maria, Daiane Damasceno Borges Cristiano Woellner Gustavo Brunetto Alexandre Fonseca Carlos JL Constantino Marcelo Pereira-da-Silva Abner Siervo Douglas Galvao Antonio Riul Jr F F A S: Experimental and computational investigation of reduced graphene oxide nanoplatelets stabilized in poly(styrene sulfonate) sodium salt. In: Journal of Materials Science, 53 (14), pp. 10049-10056, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
32. 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). (Type: Online | Abstract | Links | BibTeX)
33. Devi, Manolata M; Dolai, N; S, Sreehala S; Jaques, Y M; Galvao, Douglas S; C.S.Tiwary, ; Sharma, Sudhanshu; Biswas, Krishanu: Morphology Controlled Graphene-Alloy Nanoparticles Hybrids with Tunable Catalytic Activity. In: Nanoscale, 10 , pp. 8840-8850, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
34. Susarla Sandhya; Manimunda, Praveena; Morais Jaques Ygor; Hachtel Jordan; Idrobo Juan Carlos; Syed Amanulla Syed Asif; Galvao Douglas; Tiwary Chandra; Ajayan Pulickel : Deformation Mechanisms of Vertically Stacked WS2 /MoS2 Heterostructures: The Role of Interfaces. In: ACS Nano, 12 (4), pp. 4036−4044, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
35. 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. In: Carbon, 134 (8), pp. 491-499, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
36. Solis, Daniel; Borges, Daiane D; Woellner, Cristiano F; Galvao, Douglas S: Structural and Thermal Stability of Graphyne and Graphdiyne Nanoscroll Structures. 2018, visited: 02.03.2018, (preprint ArXiv: 1803.00154). (Type: Online | Abstract | Links | BibTeX)
37. 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. In: MRS Advances, 3 (6-7), pp. 373-378, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
38. Zink, Stefan; Moura, Francisco Alirio; da Autreto, Pedro Alves Silva; Galvão, Douglas Soares; Mizaikoff, Boris: Efficient prediction of suitable functional monomers for molecular imprinting via local density of states calculations. In: Physical Chemistry Chemical Physics, 20 , pp. 13153–13158, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
39. Zink, Stefan; Moura, Francisco Alirio; da Autreto, Pedro Alves Silva; Galvao, Douglas Soares; Mizaikoff, Boris: Virtually Imprinted Polymers (VIPs): Understanding Molecularly Templated Materials via Molecular Dynamics Simulations. In: Physical Chemistry Chemical Physics, 20 , pp. 13145-13152, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
40.de Cristiano F Woellner Leonardo D Machado, Pedro AS Autreto Jose Sousa M; Galvao, Douglas S: Structural Transformations of Carbon and Boron Nitride Nanoscrolls at High Impact Collisions. In: Physical Chemistry Chemical Physics, 20 , pp. 4911-4916, 2018. (Type: Journal Article | Abstract | Links | BibTeX)
386 entries « 2 of 20 »
386 entries « 2 of 8 »

2018

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).

Abstract | 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).

Abstract | 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).

Abstract | 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, Souza A G; Galvao, Douglas S

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

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

Abstract | 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, Sousa A G; Galvao, Douglas S

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

2018, (preprint arXiv:1801.04269).

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

331.Improving Graphene-metal Contacts: Thermal Induced Polishing

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

Improving Graphene-metal Contacts: Thermal Induced Polishing Online

2018, (preprint ArXiv:1801.04785).

Abstract | 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

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

Abstract | 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).

Abstract | 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).

Abstract | 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

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

Abstract | 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

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

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

325.Silver Hardening via Hypersonic Impacts

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

Silver Hardening via Hypersonic Impacts Journal Article

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

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

324.Improving Graphene-metal Contacts: Thermal Induced Polishing

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

Improving Graphene-metal Contacts: Thermal Induced Polishing Journal Article

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

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

2017

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

de Cristiano F Woellner Leonardo D Machado, Pedro AS Autreto Jose Sousa M; Galvao, Douglas S

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

2017, (preprint ArXiv:1711.00378).

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

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

Sruthi Radhakrishnan Parambath M Sudeep, Jun Hyoung Park Cristiano Woellner Kierstein Maladonado Douglas Galvao Benny Abraham Kaipparettu Chandra Sekhar Tiwary F S; Ajayan, Pulickel M

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

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

Abstract | 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

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

Abstract | 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

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

Abstract | 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

Advanced Materials, 2017 , pp. 1704820, 2017.

Abstract | 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

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

Abstract | 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

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

Abstract | 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).

Abstract | 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).

Abstract | 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

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

Abstract | 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).

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

312.High Toughness in Ultralow Density Graphene Oxide Foam

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

High Toughness in Ultralow Density Graphene Oxide Foam Journal Article

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

Abstract | 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

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

Abstract | 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

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

Abstract | 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).

Abstract | 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).

Abstract | 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

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

Abstract | 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

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

Abstract | 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

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

Abstract | 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).

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

303.Structural Reinforcement through Liquid Encapsulation

Alin Cristian Chipara Peter Samora Owuor, Sanjit Bhowmick Gustavo Brunetto SA Asif Mircea Chipara Robert Vajtai Jun Lou Douglas Galvao Chandra Sekhar Tiwary Pulickel Ajayan S M

Structural Reinforcement through Liquid Encapsulation Journal Article

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

Abstract | 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).

Abstract | 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

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

Abstract | 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

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.

Abstract | 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

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

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

298.Ballistic Fracturing of Carbon Nanotubes

Sehmus Ozden Leonardo D Machado, ChandraSekhar Tiwary Pedro AS Autreto Robert Vajtai Enrique Barrera Douglas Galvao Pulickel Ajayan V S M

Ballistic Fracturing of Carbon Nanotubes Journal Article

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

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

297.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.

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

296.3D Porous Graphene by Low-Temperature Plasma Welding for Bone Implants

da Dibyendu Chakravarty Chandra Sekhar Tiwary, Cristano Woellner Sruthi Radhakrishnan Soumya Vinod Sehmus Ozden Pedro Alves Silva Autreto Sanjit Bhowmick Syed Asif Sendurai Mani Douglas Galvao Pulickel F A S M

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

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

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

295.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.

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

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

Ryota Koizumi Amelia HC Hart, Gustavo Brunetto Sanjit Bhowmick Peter Owuor John Hamel Anieph Gentles Sehmus Ozden Jun Lou Robert Vajtai SA Syed Asif Douglas Galvão CS Tiwary PM Ajayan S T X S

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

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

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

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

Soumya Vinod Chandra Sekhar Tiwary, Leonardo Machado Sehmus Ozden Robert Vajtai Douglas Galvao Pulickel Ajayan D S M

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

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

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

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

JM de Sousa T Botari, Perim RA Bizao Douglas Galvao E S

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

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

Abstract | 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

de Jiangtao Di Shaoli Fang, Francisco Moura Douglas Galvão Julia Bykova Ali Aliev Mônica Jung Andrade Xavier Lepró Na Li Carter Haines Raquel Ovalle‐Robles Dong Qian Ray Baughman A S H

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

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

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

290.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.

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

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

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

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

2016.

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

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

Leonardo D Machado Sehmus Ozden, ChandraSekhar Tiwary Pedro AS Autreto Robert Vajtai Enrique Barrera Douglas Galvao Pulickel Ajayan V S M

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

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

Abstract | 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

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

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

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