Publications

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160 entries « 2 of 8 »
21.

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

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

Abstract | Links | BibTeX

22.

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

In: Carbon, vol. 139, pp. 782-788, 2018.

Abstract | Links | BibTeX

23.

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

In: ACS Omega, vol. 3, no. 6, pp. 6013–6021, 2018.

Abstract | Links | BibTeX

24.

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

In: Nature Nanotechnology, vol. 13, pp. 602–610, 2018.

Abstract | Links | BibTeX

25.

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

In: Nature Scientific Reports, vol. 8, pp. 6750, 2018.

Abstract | Links | BibTeX

26.

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

In: Journal of Materials Science, vol. 53, no. 14, pp. 10049-10056, 2018.

Abstract | Links | BibTeX

27.

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).

Abstract | Links | BibTeX

28.

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

In: Carbon, vol. 134, no. 8, pp. 491-499, 2018.

Abstract | Links | BibTeX

29.

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

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

Abstract | Links | BibTeX

30.

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

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

Abstract | Links | BibTeX

31.

Borges, Daiane Damasceno; Galvao, Douglas S.

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

In: MRS Advances, vol. 3, no. 1-2, pp. 115-120, 2018.

Abstract | Links | BibTeX

32.

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

Water/alcohol separation via layered oxide graphene membranes Journal Article

In: MRS Advances, vol. 3, no. 1-2, pp. 109-114, 2018.

Abstract | Links | BibTeX

33.

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

In: Journal of Materials Science, vol. 53, no. 10, pp. 7486–7492, 2018.

Abstract | Links | BibTeX

34.

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

In: MRS Advances, vol. 3, no. 1-2, pp. 97-102, 2018.

Abstract | Links | BibTeX

35.

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

In: Carbon, vol. 127, pp. 280-286, 2018.

Abstract | Links | BibTeX

36.

Fonseca, Alexandre F.; Galvao, Douglas S.

Self-Driven Graphene Tearing and Peeling: A Fully Atomistic Molecular Dynamics Investigation Journal Article

In: MRS Advances, vol. 3, no. 8-9, pp. 460-465, 2018.

Abstract | Links | BibTeX

37.

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

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

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

Abstract | Links | BibTeX

38.

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

In: MRS Advances, vol. 3, no. 1-2, pp. 61-66, 2018.

Abstract | Links | BibTeX

39.

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

Molecular Dynamics Simulations of Ballistic Penetration of Pentagraphene Sheets Online

2018, (preprint arXiv:1801.05346).

Abstract | Links | BibTeX

40.

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

160 entries « 2 of 8 »

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160 entries « 2 of 4 »

2017

110.
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).

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

109.
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

In: Advanced Materials, vol. 2017, pp. 1704820, 2017.

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

108.
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

In: 2D Materials, vol. 4, no. 4, pp. 045005, 2017.

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

107.
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

In: ACS Nano, vol. 11, no. 8, pp. 8944–8952, 2017.

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

106.
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

105.
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

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

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

104.
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

103.
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

In: Advanced Materials Interfaces, vol. 4, no. 10, pp. 1700030, 2017.

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

102.
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

In: MRS Advances, vol. 2017, pp. 1-6, 2017.

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

101.
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

100.
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

99.
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

In: MRS Advances, vol. 2017, pp. 129-134, 2017.

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

98.
Permeation of Water Nanodroplets on Carbon Nanotubes Forests

Jaques, Ygor M; Galvao, Douglas S

Permeation of Water Nanodroplets on Carbon Nanotubes Forests Journal Article

In: MRS Advances, vol. 2017, pp. 123-128, 2017.

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

97.
Nanodroplets Behavior on Graphdiyne Membranes

Jaques, Ygor M; Galvao, Douglas S

Nanodroplets Behavior on Graphdiyne Membranes Journal Article

In: MRS Advances, vol. 2017, pp. 1-6, 2017.

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

96.
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

95.
Structural Reinforcement through Liquid Encapsulation

Peter Samora Owuor Alin Cristian Chipara, Sanjit Bhowmick

Structural Reinforcement through Liquid Encapsulation Journal Article

In: Advanced Materials Interfaces, vol. 4, pp. 1600781, 2017.

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

94.
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

93.
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

In: Nano Energy, vol. 31, pp. 225-232, 2017.

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

2016

92.
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

In: RSC Advances, vol. 6, pp. 93384-93393, 2016.

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

91.
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

In: RSC Advances, vol. 6, no. 91, pp. 87888-87896, 2016.

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

90.
Ballistic Fracturing of Carbon Nanotubes

Leonardo D Machado Sehmus Ozden, ChandraSekhar Tiwary

Ballistic Fracturing of Carbon Nanotubes Journal Article

In: ACS Applied Materials & Interfaces, vol. 8, no. 37, pp. 24819-24825, 2016.

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

89.
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

In: Carbon, vol. 104, pp. 196-202, 2016.

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

88.
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

In: Advanced Materials, vol. 28, no. 40, pp. 8959-8967, 2016.

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

87.
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

In: Carbon, vol. 110, pp. 27-33, 2016.

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

86.
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

In: Nanoscale, vol. 8, no. 35, pp. 15857-15863, 2016.

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

85.
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

In: RSC Advances, vol. 6, no. 80, pp. 76915-76921, 2016.

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

84.
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

In: Nature Scientific Reports, vol. 6, pp. 31569, 2016.

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

83.
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.

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

82.
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

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

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

81.
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

In: Carbon, vol. 99, pp. 302-309, 2016.

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

80.
Defect-Free Carbon Nanotube Coils

Anna Kremen Nitzan Shadmi, Yiftach Frenkel; Joselevich, Ernesto

Defect-Free Carbon Nanotube Coils Journal Article

In: Nano Letters, vol. 16, no. 4, pp. 2152–2158, 2016.

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

79.
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

In: Advanced Materials Interfaces, vol. 2016, pp. 1500755, 2016.

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

78.
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

In: MRS Advances, vol. 2016, 2016.

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

77.
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

In: Carbon, vol. 101, pp. 218–225, 2016.

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

76.
Nanodroplets Impacting on Graphene

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

Nanodroplets Impacting on Graphene Online

2016, ((ArXiv preprint)).

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

75.
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)).

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

74.
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)).

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

73.
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

In: Nano Letters, vol. 16, no. 2, pp. 1127–1131, 2016.

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

2015

72.
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).

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

71.
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

In: Advanced Materials, vol. 27, no. 31, pp. 4534–4543, 2015.

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

70.
Burning Graphene Layer-by-Layer

Andrei V Alaferdov Victor A Ermakov, Alfredo R Vaz

Burning Graphene Layer-by-Layer Journal Article

In: Nature Scientific Reports, vol. 5, pp. 11546, 2015.

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

69.
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

In: Nature Scientific Reports, vol. 5, pp. 10408, 2015.

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

68.
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

In: Nature Communications, vol. 6, pp. 7291, 2015.

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

67.
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

In: The Journal of Physical Chemistry C, vol. 119, no. 19, pp. 10669–10676, 2015.

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

66.
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

In: Journal of Applied Physics, vol. 117, no. 9, pp. 094301, 2015.

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

65.
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)).

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

64.
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).

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

63.
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)).

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

62.
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 Proceedings

vol. 1726, no. mrsf14-1726-j02-02, 2015, (MRS Proceedings, 1726, mrsf14-1726-j02-02 ).

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

61.
Novel Nanoscroll Structures from Carbon Nitride Layers

Eric Perim, Douglas S. Galvao

Novel Nanoscroll Structures from Carbon Nitride Layers Proceedings

vol. 1726, no. mrsf14-1726-j05-02, 2015, (MRS Proceedings, 1726, mrsf14-1726-j05-02 ).

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

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