Publicações

Curriculum Lattes

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

2017

312.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.

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

311.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, 2017.

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

310.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.

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

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

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

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

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

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

308.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.

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

307.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.

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

306.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.

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

305.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.

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

304.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.

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

303.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.

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

302.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.

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

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.

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

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

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

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

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

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.

Resumo | 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.

Resumo | 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.

Resumo | 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.

Resumo | 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.

Resumo | 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.

Resumo | 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.

Resumo | 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.

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

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.

Resumo | 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.

Resumo | 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.

Resumo | 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.

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

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

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

286.Defect-Free Carbon Nanotube Coils

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

Defect-Free Carbon Nanotube Coils Journal Article

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

andPulickel Sehmus Ozden Gustavo Brunetto, Karthiselva Douglas Galvão Ajit Roy Srinivasa Bakshi Chandra Tiwary Ajayan N S S R S M

Controlled 3D Carbon Nanotube Structures by Plasma Welding Journal Article

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

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

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

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

MRS Advances, 2016 , 2016.

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

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

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

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

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

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

Sidong Lei Xifan Wang, Bo Li Jiahao Kang Yongmin He Antony George Liehui Ge Yongji Gong Pei Dong Zehua Jin Gustavo Brunetto Weibing Chen Zuan-Tao Lin Robert Baines Douglas Galvão Jun Lou Enrique Barrera Kaustav Banerjee Robert Vajtai & Pulickel Ajayan S

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

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 ; da Autreto, Pedro Alves 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 ; da Autreto, Pedro Alves 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

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

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

275.Torsional “superplasticity” of graphyne nanotubes

J.M. de Sousa G. Brunetto, Coluci Galvao V R D S

Torsional “superplasticity” of graphyne nanotubes Journal Article

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

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

Jose M. de Sousa Gustavo Brunetto, Vitor Coluci Douglas Galvao R S

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

ZF Liu S Fang, FA Moura JN Ding Jiang Di Zhang Lepró DS Galvão CS Haines NY Yuan SG Yin DW Lee Wang HY Wang Lv Dong RC Zhang MJ Chen Yin YT Chong Zhang Wang MD Lima Ovalle-Robles Qian Lu RH Baughman N J M X R W C Q R X R D H

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

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

Dibyendu Chakravarty Chandra Sekhar Tiwary, Leonardo Dantas Machado Gustavo Brunetto Soumya Vinod Ram Manohar Yadav Douglas Galvao Shrikant Joshi Govindan Sundararajan Pulickel Ajayan S V M

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

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)

Kunttal Keyshar Yongji Gong, Gonglan Ye Gustavo Brunetto Wu Zhou Daniel Cole Ken Hackenberg Yongmin He Leonardo Machado Mohamad Kabbani Amelia Hart Bo Li Douglas Galvao Antony George Robert Vajtai Chandra Sekhar Tiwary Pulickel Ajayan P H C S M

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

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

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

268.Burning Graphene Layer-by-Layer

Victor A Ermakov Andrei V Alaferdov, Alfredo Vaz Eric Perim Pedro AS Autreto Ricardo Paupitz Douglas Galvao Stanislav Moshkalev R S A

Burning Graphene Layer-by-Layer Journal Article

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

Abraham G Cano-Marquez Wesller G Schmidt, Jenaina Ribeiro-Soares Luiz Gustavo Cançado Wagner Rodrigues Adelina Santos Clascidia Furtado Pedro AS Autreto Ricardo Paupitz Douglas Galvão Ado Jorio N P A S

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

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

Mohamad A Kabbani Chandra Sekhar Tiwary, Pedro AS Autreto Gustavo Brunetto Anirban Som KR Krishnadas Sehmus Ozden Ken Hackenberg Yongi Gong Douglas Galvao Robert Vajtai Ahmad Kabbani Thalappil Pradeep Pulickel Ajayan P S T M

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

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

Nadia Ferreira Andrade Acrísio L Aguiar, Yoong Ahm Kim Morinobu Endo Paulo TC Freire Gustavo Bruneto Douglas Soares Galvao Mildred Dresselhaus Antonio Gomes Souza Filho S

Linear Carbon Chains Under High Pressure Conditions Journal Article

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

MJ Lagos PAS Autreto, Bettini Sato SO Dantas DS Galvao Ugarte J F D

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

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 Galvao S

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

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

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 Galvao S

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

Cristiano F. Woellner Leonardo D. Machado, Pedro Autreto Jose Freire Douglas Galvao A S A S

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

Cristiano F Woellner Leonardo D Machado, Pedro AS Autreto José Freire Douglas Galvão A S

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 Galvao S

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 Galvao S

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

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

High Pressure Induced Binding Between Linear Carbon Chains and Nanotubes Proceeding

1752 (53-58), 2015, (MRS Proceedings, 1752, pp 53-58).

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

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

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

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, Souza G

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

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

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

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

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, 1658 , 2014.

Resumo | Links | BibTeX | Tags: Graphene, Membranes, Porous Graphene, Sieves

246.Mechanical Properties of Graphene Nanowiggles

Bizao, RA ; Botari, T; Galvao, DS

Mechanical Properties of Graphene Nanowiggles Proceeding

Cambridge University Press, 1658 , 2014.

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

245.Novel Nanoscroll Structures from Carbon Nitride Layers

Perim, Eric ; Galvao, Douglas S

Novel Nanoscroll Structures from Carbon Nitride Layers Journal Article

ChemPhysChem, 15 (11), pp. 2367–2371, 2014.

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

244.Site-dependent hydrogenation on graphdiyne

Autreto, PAS ; de Sousa, JM ; Galvao, DS

Site-dependent hydrogenation on graphdiyne Journal Article

Carbon, 77 , pp. 829–834, 2014.

Resumo | Links | BibTeX | Tags: Functionalization, Graphdyine, Graphene, Graphynes

243.Unzipping Carbon Nanotubes at High Impact

Ozden, Sehmus ; Autreto, Pedro AS ; Tiwary, Chandra Sekhar ; Khatiwada, Suman ; Machado, Leonardo ; Galvao, Douglas S; Vajtai, Robert ; Barrera, Enrique V; M. Ajayan, Pulickel

Unzipping Carbon Nanotubes at High Impact Journal Article

Nano letters, 14 (7), pp. 4131–4137, 2014.

Resumo | Links | BibTeX | Tags: Carbon Nanotubes, Fracture, Unzipping

242.Low-density three-dimensional foam using self-reinforced hybrid two-dimensional atomic layers

Vinod, Soumya ; Tiwary, Chandra Sekhar ; da Silva Autreto, Pedro Alves ; Taha-Tijerina, Jaime ; Ozden, Sehmus ; Chipara, Alin Cristian ; Vajtai, Robert ; Galvao, Douglas S; Narayanan, Tharangattu N; Ajayan, Pulickel M

Low-density three-dimensional foam using self-reinforced hybrid two-dimensional atomic layers Journal Article

Nature Communications, 5 , 2014.

Links | BibTeX | Tags: foams, Fracture, Graphene, Mechanical Properties, top20

241.Inorganic Graphenylene: A Porous Two-Dimensional Material With Tunable Band Gap

Perim, Eric ; Paupitz, Ricardo ; Autreto, PAS ; Galvao, Douglas Soares

Inorganic Graphenylene: A Porous Two-Dimensional Material With Tunable Band Gap Journal Article

The Journal of Physical Chemistry C, 118 (41), pp. 23670–23674, 2014.

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

2013

240.Graphene to fluorographene and fluorographane: a theoretical study

Paupitz, R; Autreto, Pedro AS ; Legoas, SB ; Srinivasan, Goverapet S; van Duin, Adri CT ; Galvao, DS

Graphene to fluorographene and fluorographane: a theoretical study Journal Article

Nanotechnology, 24 (3), pp. 035706, 2013.

Resumo | Links | BibTeX | Tags: Fluorographene, Graphane, Graphene

239.Controlled route to the fabrication of carbon and boron nitride nanoscrolls: A molecular dynamics investigation

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

Controlled route to the fabrication of carbon and boron nitride nanoscrolls: A molecular dynamics investigation Journal Article

Journal of Applied Physics, 113 (5), pp. 054306, 2013.

Resumo | Links | BibTeX | Tags: Boron Nitride, Carbon Nanotubes, Graphene, Molecular Dynamics, Scrolls

238.Dynamics of the formation of carbon nanotube serpentines

LD Machado SB Legoas, JS Soares Shadmi Jorio Joselevich DS Galvão N A E

Dynamics of the formation of carbon nanotube serpentines Journal Article

Physical Review Letters, 110 (10), pp. 105502, 2013.

Resumo | Links | BibTeX | Tags: Carbon Nanotubes, Molecular Dynamics, Serpentines, top20

237.Fracture Patterns of Boron Nitride Nanotubes

Perim, Eric ; Santos, Ricardo Paupitz ; da Autreto, Pedro Alves Silva ; Galvao, Douglas S

Fracture Patterns of Boron Nitride Nanotubes Proceeding

Cambridge University Press, 1526 , 2013.

Resumo | Links | BibTeX | Tags: Boron Nitride, Fracture, Mechanical Properties, Unzipping

236.On the Dynamics of Graphdiyne Hydrogenation

Autreto, PA ; de Sousa, JM ; Galvao, DS

On the Dynamics of Graphdiyne Hydrogenation Proceeding

Cambridge University Press, 1549 , 2013.

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

235.The Hydrogenation Dynamics of h-BN Sheets

Perim, Eric ; Paupitz, Ricardo ; Autreto, PAS ; Galvao, DS

The Hydrogenation Dynamics of h-BN Sheets Proceeding

Cambridge University Press, 1549 , 2013.

Resumo | Links | BibTeX | Tags: Boron Nitride, Hydrogenation, Molecular Dynamics, Nanotubes

234.Bending of Layer-by-Layer Films Driven by an External Magnetic Field

Miyazaki, Celina M; Riul, Antonio ; Dos Santos, David S; Ferreira, Mariselma ; Constantino, Carlos JL ; Pereira-da-Silva, Marcelo A; Paupitz, Ricardo ; Galvao, Douglas S; others,

Bending of Layer-by-Layer Films Driven by an External Magnetic Field Journal Article

International journal of molecular sciences, 14 (7), pp. 12953–12969, 2013.

Resumo | Links | BibTeX | Tags: LB films, Nanoscale Effects

233.Graphyne Oxidation: Insights From a Reactive Molecular Dynamics Investigation

Machado, LD ; Autreto, PAS ; Galvao, DS

Graphyne Oxidation: Insights From a Reactive Molecular Dynamics Investigation Proceeding

Cambridge University Press, 1549 , 2013.

Resumo | Links | BibTeX | Tags: Graphdyine, Graphyne, Molecular Dynamics, Oxidation

232.Dynamical aspects of the unzipping of multiwalled boron nitride nanotubes

Perim, E; Autreto, PAS ; Paupitz, R; Galvao, DS

Dynamical aspects of the unzipping of multiwalled boron nitride nanotubes Journal Article

Physical Chemistry Chemical Physics, 15 (44), pp. 19147–19150, 2013.

Resumo | Links | BibTeX | Tags: Boron Nitride, Mechanical Properties, Molecular Dynamics, Unzipping

231.Species Fractionation in Atomic Chains from Mechanically Stretched Alloys

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

Species Fractionation in Atomic Chains from Mechanically Stretched Alloys Journal Article

arXiv preprint arXiv:1312.1285, 2013.

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

2012

230.Comparative parametric method 6 (PM6) and Recife model 1 (RM1) study of trans-stilbene

Camilo Jr, A; dos Santos, RPB ; Coluci, VR ; Galvao, DS

Comparative parametric method 6 (PM6) and Recife model 1 (RM1) study of trans-stilbene Journal Article

Molecular Simulation, 38 (1), pp. 1–7, 2012.

Resumo | Links | BibTeX | Tags: AM1, MOPAC, PM3, PM6, PPV, RM1, Stilbene

229.Graphene to Fluorographene: A Reactive Molecular Dynamics Study

Autreto, PAS ; Galvao, Douglas S; Santos, Ricardo PB ; Legoas, SB

Graphene to Fluorographene: A Reactive Molecular Dynamics Study Journal Article

Physicæ Proceedings, 1 (1), pp. 3, 2012.

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

228.Boron Nitride Nanoscrolls

Perim, E; Galvao, DS

Boron Nitride Nanoscrolls Journal Article

Physicæ Proceedings, 1 (1), pp. 2, 2012.

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

227.Nonzero gap two-dimensional carbon allotrope from porous graphene

Brunetto, Gustavo ; Autreto, PAS ; Machado, Leonardo Dantas ; Santos, BI ; dos Santos, Ricardo PB ; Galvao, Douglas S

Nonzero gap two-dimensional carbon allotrope from porous graphene Journal Article

The Journal of Physical Chemistry C, 116 (23), pp. 12810–12813, 2012.

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

226.Multi-Million Fully Atomistic Molecular Dynamics Simulations of Yarn Formation from Carbon Nanotube Forests

Machado, Leonardo D; Legoas, Sergio B; Galvao, Douglas S

Multi-Million Fully Atomistic Molecular Dynamics Simulations of Yarn Formation from Carbon Nanotube Forests Proceeding

Cambridge University Press, 1407 , 2012.

Resumo | Links | BibTeX | Tags: Carbon Nanotube Forests, Carbon Nanotubes, Molecular Dynamics, Yarns

225.On the Existence of Ordered Phases of Encapsulated Diamondoids into Carbon Nanotubes

Legoas, SB ; dos Santos, RPB ; Troche, KS ; Coluci, VR ; Galvao, Douglas S

On the Existence of Ordered Phases of Encapsulated Diamondoids into Carbon Nanotubes Proceeding

Cambridge University Press, 1407 , 2012.

Resumo | Links | BibTeX | Tags: Carbon Nanotubes, Diamondoids, Encapsulation

224.Correlation between Quantum Conductance and Atomic Arrangement of Silver Atomic-Size Nanowires

Lagos, MJ ; Autreto, PAS ; Galvao, DS ; Ugarte, D

Correlation between Quantum Conductance and Atomic Arrangement of Silver Atomic-Size Nanowires Journal Article

arXiv preprint arXiv:1206.2551, 2012, (Draft version of: Correlation between quantum conductance and atomic arrangement of atomic-size silver nanowires Journal of Applied Physics, 111 (12), pp. 124316, 2012.).

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

223.Correlation between quantum conductance and atomic arrangement of atomic-size silver nanowires

Lagos, MJ ; Autreto, PAS ; Galvao, DS ; Ugarte, D

Correlation between quantum conductance and atomic arrangement of atomic-size silver nanowires Journal Article

Journal of Applied Physics, 111 (12), pp. 124316, 2012.

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

222.When Small is Different: The Case of Membranes Inside Tubes

Perim, Eric ; Fonseca, Alexandre F; Galvao, Douglas S

When Small is Different: The Case of Membranes Inside Tubes Proceeding

Cambridge University Press, 1451 , 2012.

Resumo | Links | BibTeX | Tags: Mechanical Properties, Membranes, Nanoscale Effects, Scrolls

221.On the Unzipping Mechanisms of Carbon Nanotubes: Insights from Reactive Molecular Dynamics Simulations

dos Santos, Ricardo P; Autreto, Pedro A; Perim, Eric ; Brunetto, Gustavo ; Galvao, Douglas S

On the Unzipping Mechanisms of Carbon Nanotubes: Insights from Reactive Molecular Dynamics Simulations Proceeding

Cambridge University Press, 1451 , 2012.

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

220.On the unzipping of multiwalled carbon nanotubes

Dos Santos, RPB ; Perim, E; Autreto, PAS ; Brunetto, Gustavo ; Galvao, DS

On the unzipping of multiwalled carbon nanotubes Journal Article

Nanotechnology, 23 (46), pp. 465702, 2012.

Resumo | Links | BibTeX | Tags: Carbon Nanotubes, Fracture, Molecular Dynamics, Unzipping

219.Electrically, chemically, and photonically powered torsional and tensile actuation of hybrid carbon nanotube yarn muscles

Lima, Marcio D; Li, Na ; De Andrade, Monica Jung ; Fang, Shaoli ; Oh, Jiyoung ; Spinks, Geoffrey M; Kozlov, Mikhail E; Haines, Carter S; Suh, Dongseok ; Foroughi, Javad ; Kim, Seon Jeong ; Chen, Yongsheng ; Ware, Taylor ; Shin, Min Kyoon ; Machado, Leonardo D; Fonseca, Alexandre F; Madden, John DW ; Voit, Walter E; Galvao, Douglas S; Baughman, Ray H

Electrically, chemically, and photonically powered torsional and tensile actuation of hybrid carbon nanotube yarn muscles Journal Article

Science, 338 (6109), pp. 928–932, 2012.

Resumo | Links | BibTeX | Tags: Actuation, Artificial Muscles, Carbon Nanotubes, top20, Yarns

218.Correlation Between Quantum Conductance and Atomic Arrangement of Silver Atomic-Size Nanocontacts

Autreto, Pedro A; Lagos, Maureen J; Ugarte, Daniel ; Galvao, Douglas S

Correlation Between Quantum Conductance and Atomic Arrangement of Silver Atomic-Size Nanocontacts Proceeding

Cambridge University Press, 1429 , 2012.

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

217.Tribological Properties of Graphene and Boron-Nitride Layers: A Fully Atomistic Molecular Dynamics Study

dos Santos, Ricardo P; Machado, Leonardo D; Legoas, Sergio B; Galvao, Douglas S

Tribological Properties of Graphene and Boron-Nitride Layers: A Fully Atomistic Molecular Dynamics Study Proceeding

Cambridge University Press, 1407 , 2012.

Resumo | Links | BibTeX | Tags: Boron Nitride, Graphene, Molecular Dynamics, Tribology

2011

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

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

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

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

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

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

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

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

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

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

214.On the formation of carbon nanotube serpentines: insights from multi-million atom molecular dynamics simulation

Machado, Leonardo D; Legoas, Sergio B; Soares, Jaqueline S; Shadmi, Nitzan ; Jorio, Ado ; Joselevich, Ernesto ; Galvao, Douglas S

On the formation of carbon nanotube serpentines: insights from multi-million atom molecular dynamics simulation Proceeding

Cambridge University Press, 1284 , 2011.

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

213.Intrinsic Stability of the Smallest Possible Silver Nanotube

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

Intrinsic Stability of the Smallest Possible Silver Nanotube Journal Article

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

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

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

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

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

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

Resumo | Links | BibTeX | Tags: Gold, Mechanical Properties, Metallic Nanowires

211.Stability and Dynamics of Boron Nitride Nanoscrolls

Perim, Eric ; Galvao, Douglas S

Stability and Dynamics of Boron Nitride Nanoscrolls Proceeding

Cambridge University Press, 1307 , 2011.

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

210.A Fully Atomistic Reactive Molecular Dynamics Study on the Formation of Graphane from Graphene Hydrogenated Membranes.

Autreto, Pedro AS ; Flores, Marcelo Z; Legoas, Sergio B; Santos, Ricardo PB ; Galvao, Douglas S

A Fully Atomistic Reactive Molecular Dynamics Study on the Formation of Graphane from Graphene Hydrogenated Membranes. Proceeding

Cambridge University Press, 1284 , 2011.

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

209.van der Waals potential barrier for cobaltocene encapsulation into single-walled carbon nanotubes: classical molecular dynamics and ab initio study

Azevedo, David L; Sato, Fernando ; Gomes de Sousa Filho, Antonio ; Galvao, Douglas S

van der Waals potential barrier for cobaltocene encapsulation into single-walled carbon nanotubes: classical molecular dynamics and ab initio study Journal Article

Molecular Simulation, 37 (9), pp. 746–751, 2011.

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

208.The Dynamics of Formation of Graphane-like Fluorinated Graphene Membranes (Fluorographene): A Reactive Molecular Dynamics Study

Santos, Ricardo PB ; Autreto, Pedro AS ; Legoas, Sergio B; Galvao, Douglas S

The Dynamics of Formation of Graphane-like Fluorinated Graphene Membranes (Fluorographene): A Reactive Molecular Dynamics Study Proceeding

Cambridge University Press, 1344 , 2011.

Resumo | Links | BibTeX | Tags: Fluorographene, Functionalization, Graphane, Graphene

207.Ordered phases of encapsulated diamondoids into carbon nanotubes

Legoas, SB ; Dos Santos, RPB ; Troche, KS ; Coluci, VR ; Galvao, DS

Ordered phases of encapsulated diamondoids into carbon nanotubes Journal Article

Nanotechnology, 22 (31), pp. 315708, 2011.

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

206.Tuning Electronic and Structural Properties of Triple Layers of Intercalated Graphene and Hexagonal Boron Nitride: An Ab-initio Study.

Coutinho, Samir S; Azevedo, David L; Galvao, Douglas S

Tuning Electronic and Structural Properties of Triple Layers of Intercalated Graphene and Hexagonal Boron Nitride: An Ab-initio Study. Journal Article

MRS Proceedings, 1307 , pp. mrsf10–1307, 2011.

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

205.Dynamics of Graphene Nanodrums

Brunetto, Gustavo ; Legoas, Sergio B; Coluci, Vitor R; Lucena, Liacir S; Galvao, Douglas S

Dynamics of Graphene Nanodrums Proceeding

Cambridge University Press, 1284 , 2011.

Resumo | Links | BibTeX | Tags: Graphene Membranes, Mechanical Properties, Nanodrum

204.Electronic properties of Fibonacci and random Si--Ge chains

Vasconcelos, MS ; Azevedo, David L; Hadad, A; Galvao, DS

Electronic properties of Fibonacci and random Si--Ge chains Journal Article

Journal of Physics: Condensed Matter, 23 (40), pp. 405501, 2011.

Resumo | Links | BibTeX | Tags: Electronic Structure, Fibonacci, Si-Ge chains

203.The First Molecular Wheel: A Theoretical Investigation

Brunetto, Gustavo ; Sato, Fernando ; Bouju, Xavier ; Galvao, Douglas S

The First Molecular Wheel: A Theoretical Investigation Proceeding

Cambridge University Press, 1286 , 2011.

Resumo | Links | BibTeX | Tags: Molecular Dynamics, Molecular Electronics, Nanowheel

2010

202.Curved graphene nanoribbons: structure and dynamics of carbon nanobelts

Martins, BVC ; Galvao, DS

Curved graphene nanoribbons: structure and dynamics of carbon nanobelts Journal Article

Nanotechnology, 21 (7), pp. 075710, 2010.

Resumo | Links | BibTeX | Tags: Folding, Graphene, Mechanical Properties, Nanobelts, NanoRibbons

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

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

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

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

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

200.Neon atoms oscillating inside carbon and boron nitride nanotubes: a fully atomistic molecular dynamics investigation

Garcez, Karl M; Moreira, Edvan ; Azevedo, David L; Galvao, Douglas S

Neon atoms oscillating inside carbon and boron nitride nanotubes: a fully atomistic molecular dynamics investigation Journal Article

Molecular Simulation, 36 (9), pp. 639–643, 2010.

Resumo | Links | BibTeX | Tags: Boron Nitride, Encapsulation, Molecular Dynamics, Nanotubes

199.Topologically Closed Macromolecules Made of Single Walled Carbon Nanotubes—'Super'-Fullerenes

Coluci, VR ; dos Santos, RPB ; Galvao, DS

Topologically Closed Macromolecules Made of Single Walled Carbon Nanotubes—'Super'-Fullerenes Journal Article

Journal of Nanoscience and Nanotechnology, 10 (7), pp. 4378–4383, 2010.

Resumo | Links | BibTeX | Tags: Fullerenes, New Structures, Super Carbons, Super Fullerenes

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

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

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

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

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

197.$beta$-Carotene encapsulation into single-walled carbon nanotubes: a theoretical study

Moreira, E; Lemos, V; Galvao, DS ; Azevedo, DL

$beta$-Carotene encapsulation into single-walled carbon nanotubes: a theoretical study Journal Article

Molecular Simulation, 36 (13), pp. 1031–1034, 2010.

Resumo | Links | BibTeX | Tags: Beta-carotene, CNT encapsulation, Molecular Dynamics

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

Sato, F; Legoas, SB ; Otero, R; Hummelink, F; Thostrup, P; Lægsgaard, E; Stensgaard, I; Besenbacher, F; Galvao, DS

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

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

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

2009

195.Graphene to graphane: a theoretical study

Flores, Marcelo ZS ; Autreto, Pedro AS ; Legoas, Sergio B; Galvao, Douglas S

Graphene to graphane: a theoretical study Journal Article

Nanotechnology, 20 (46), pp. 465704, 2009.

Resumo | Links | BibTeX | Tags: Functionalization, Graphanes, Graphene, Hydrogenation

194.Mobius and twisted graphene nanoribbons: stability, geometry and electronic properties

Caetano, Ewerton WS ; Freire, Valder N; dos Santos, Sergio G; Galvao, Douglas S; Sato, Fernando

Mobius and twisted graphene nanoribbons: stability, geometry and electronic properties Journal Article

arXiv preprint arXiv:0903.2080, 2009.

Resumo | Links | BibTeX | Tags: Graphene, Mobius, NanoRibbons, Structure

193.Observation of the smallest metal nanotube with a square cross-section

Lagos, MJ ; Sato, Fernando ; Bettini, Jeferson ; Rodrigues, Varlei ; Galvao, Douglas S; Ugarte, Daniel

Observation of the smallest metal nanotube with a square cross-section Journal Article

Nature Nanotechnology, 4 (3), pp. 149–152, 2009.

Resumo | Links | BibTeX | Tags: Metallic Nanowires, New Structures, Smallest nanotube, TEM, top20

192.Thermophoretically driven carbon nanotube oscillators

Coluci, VR ; Timoteo, VS ; Galvao, DS

Thermophoretically driven carbon nanotube oscillators Journal Article

Applied Physics Letters, 95 (25), pp. 253103, 2009.

Resumo | Links | BibTeX | Tags: Carbon Nanotubes, Chaos, Oscillators, Thermophoretical

191.The structure and dynamics of boron nitride nanoscrolls

Perim, Eric ; Galvao, Douglas S

The structure and dynamics of boron nitride nanoscrolls Journal Article

Nanotechnology, 20 (33), pp. 335702, 2009.

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

190.C60-derived nanobaskets: stability, vibrational signatures, and molecular trapping

Dos Santos, SG ; Pires, MS ; Lemos, V; Freire, VN ; Caetano, EWS ; Galvao, DS ; Sato, F; Albuquerque, EL

C60-derived nanobaskets: stability, vibrational signatures, and molecular trapping Journal Article

Nanotechnology, 20 (39), pp. 395701, 2009.

Resumo | Links | BibTeX | Tags: Fullerenes, Molecular Dynamics, nanobaskets, nanobowls

189.New Insights on the Growth of Anisotropic Nanoparticles from Total Energy Calculations

Rocha, Tulio CR ; Sato, Fernando ; Dantas, Socrates O; Galvao, Douglas S; Zanchet, Daniela

New Insights on the Growth of Anisotropic Nanoparticles from Total Energy Calculations Journal Article

The Journal of Physical Chemistry C, 113 (28), pp. 11976–11979, 2009.

Resumo | Links | BibTeX | Tags: growth, Nanoparticles, Structure

188.Graphene to graphane: the role of H frustration in lattice contraction

Legoas, Sergio B; Autreto, Pedro AS ; Flores, Marcelo ZS ; Galvao, Douglas S

Graphene to graphane: the role of H frustration in lattice contraction Journal Article

arXiv preprint arXiv:0903.0278, 2009.

Resumo | Links | BibTeX | Tags: Functionalization, Graphane, Graphene, Hydrogenation

187.Defects in Graphene-Based Twisted Nanoribbons: Structural, Electronic, and Optical Properties

Caetano, Ewerton WS ; Freire, Valder N; dos Santos, Sergio G; Albuquerque, EL ; Galvao, Douglas S; Sato, Fernando

Defects in Graphene-Based Twisted Nanoribbons: Structural, Electronic, and Optical Properties Journal Article

Langmuir, 25 (8), pp. 4751–4759, 2009.

Resumo | Links | BibTeX | Tags: Defects, Mobius, NanoRibbons, Twisting

186.On the Lifetime of Suspended Atomic Chains Formed from Stretched Metallic Gold Nanowires

Sato, Fernando ; Lagos, Maureen ; Autreto, Pedro ; Ugarte, Daniel ; Galvao, Douglas

On the Lifetime of Suspended Atomic Chains Formed from Stretched Metallic Gold Nanowires Journal Article

Physicae, 8 (8), 2009, (Invited Paper).

Resumo | Links | BibTeX | Tags: Atomic Chains, Gold, Metallic Nanowires, TEM

185.

Torriani, IL ; Silva, JC ; Autreto, PAS ; Galvao, DS ; Caldas, MJ ; Graeff, CFO

Low resolution structure of synthetic melanin aggregates in aqueous solutions and organic solvents Journal Article

Acta Crystalographica A, 64 , pp. C552, 2009.

Resumo | Links | BibTeX | Tags: Melanin, Structure

2008

184.Mobius and twisted graphene nanoribbons: Stability, geometry, and electronic properties

dos and Caetano E. W. S.; Freire, Santos Galvao Sato V N ; S G ; D S F

Mobius and twisted graphene nanoribbons: Stability, geometry, and electronic properties Journal Article

THE JOURNAL OF CHEMICAL PHYSICS, 128 , pp. 164719, 2008.

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

183.Sign change of Poisson's ratio for carbon nanotube sheets

Hall, Lee J; Coluci, Vitor R; Galvao, Douglas S; Kozlov, Mikhail E; Zhang, Mei ; Dantas, Socrates O; Baughman, Ray H

Sign change of Poisson's ratio for carbon nanotube sheets Journal Article

Science, 320 (5875), pp. 504–507, 2008.

Resumo | Links | BibTeX | Tags: Artificial Muscles, Auxetics, Carbon Nanotube Forests, sheets, top20

182.Designing conducting polymers using bioinspired ant algorithms

Martins, Bruno VC ; Brunetto, Gustavo ; Sato, Fernando ; Coluci, Vitor R; Galvao, Douglas S

Designing conducting polymers using bioinspired ant algorithms Journal Article

Chemical Physics Letters, 453 (4), pp. 290–295, 2008.

Resumo | Links | BibTeX | Tags: ANTS algorithms, Artificial Intelligence, Conducting Polymer, Design of Materials

181.Modeling the auxetic transition for carbon nanotube sheets

Coluci, Vitor R; Hall, Lee J; Kozlov, Mikhail E; Zhang, Mei ; Dantas, Socrates O; Galvao, Douglas S; Baughman, Ray H

Modeling the auxetic transition for carbon nanotube sheets Journal Article

Physical Review B, 78 (11), pp. 115408, 2008.

Resumo | Links | BibTeX | Tags: Auxetics, Carbon Nanotube Forests, Carbon Nanotubes, CNT sheets

180.Carbon nanotubes as reinforcement elements of composite nanotools

Nakabayashi, D; Moreau, ALD ; Coluci, VR ; Galvao, DS ; Cotta, MA ; Ugarte, D

Carbon nanotubes as reinforcement elements of composite nanotools Journal Article

Nano letters, 8 (3), pp. 842–847, 2008.

Resumo | Links | BibTeX | Tags: AFM tips, Carbon Nanotubes, Molecular Dynamics, Nanocomposites, Tribology

179.Entanglement and the nonlinear elastic behavior of forests of coiled carbon nanotubes

Coluci, Vitor R; Fonseca, Alexandre F; Galvao, Douglas S; Daraio, Chiara

Entanglement and the nonlinear elastic behavior of forests of coiled carbon nanotubes Journal Article

Physical Review Letters, 100 (8), pp. 086807, 2008.

Resumo | Links | BibTeX | Tags: Carbon Nanotube Forests, Entanglement, Mechanical Properties, top20

178.Rotational dynamics and polymerization of C60 in C60-cubane crystals: A molecular dynamics study

Coluci, Vitor R; Sato, Fernando ; Braga, Scheila F; Skaf, Munir S; Galvao, Douglas S

Rotational dynamics and polymerization of C60 in C60-cubane crystals: A molecular dynamics study Journal Article

The Journal of Chemical Physics, 129 (6), pp. 064506, 2008.

Resumo | Links | BibTeX | Tags: C60, C70, Cubanes, Fullerenes, Molecular Dynamics, Rotor-Stator

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

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

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

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

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

176.Low-temperature specific heat spectra considering nonextensive long-range correlated quasiperiodic DNA molecules

Moreira, DA ; Albuquerque, EL ; da Silva, LR ; Galvao, DS

Low-temperature specific heat spectra considering nonextensive long-range correlated quasiperiodic DNA molecules Journal Article

Physica A: Statistical Mechanics and its Applications, 387 (22), pp. 5477–5482, 2008.

Resumo | Links | BibTeX | Tags: DNA sequences, Fibonacci, nonextensive

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

Rurali, R; Cartoixa, X; Galvao, DS

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

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

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

174.Atomic-size Silver Nanotube

Lagos, M; Sato, F; Bettini, J; Rdrigues, V; Galvao, D; Ugarte, D

Atomic-size Silver Nanotube Incollection

EMC 2008 14th European Microscopy Congress 1--5 September 2008, Aachen, Germany, pp. 493–494, Springer Berlin Heidelberg, 2008, (Book Chapter).

Resumo | Links | BibTeX | Tags: Metallic Nanowires, New Structures, Silver Nanotubes, TEM

173.A molecular dynamics study of the rotational dynamics and polymerization of C60 in C60-cubane crystals

Coluci, Vitor ; Sato, Fernando ; Braga, Scheila F; Skaf, Munir S; Galvao, Douglas S

A molecular dynamics study of the rotational dynamics and polymerization of C60 in C60-cubane crystals Journal Article

MRS Proceedings, 1130 , pp. 1130–W06, 2008.

Resumo | Links | BibTeX | Tags: Cubanes, Molecular Dynamics, Molecular Machines, Rotor-Stator

172.

Nakabayashi, D; Ugarte, D; Moreau, ALD ; Coluci, VR ; Galvao, DS ; Cotta, MA

Carbon nanotubes as R-bars of high aspect ratio composite nanotools Technical Report

2008.

Resumo | Links | BibTeX | Tags: AFM tips, Carbon Nanotubes, Nanocomposites, Tribology

2007

171.Atomistic simulations of the mechanical properties of'super'carbon nanotubes

Coluci, Vitor R; Pugno, Nicola M; Dantas, Socrates O; Galvao, Douglas S; Jorio, Ado

Atomistic simulations of the mechanical properties of'super'carbon nanotubes Journal Article

Nanotechnology, 18 (33), pp. 335702, 2007.

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

170.Mechanical properties of carbon nanotube networks by molecular mechanics and impact molecular dynamics calculations

Coluci, VR ; Dantas, SO ; Jorio, A; Galvao, DS

Mechanical properties of carbon nanotube networks by molecular mechanics and impact molecular dynamics calculations Journal Article

Physical Review B, 75 (7), pp. 075417, 2007.

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

169.Prediction of the hydrogen storage capacity of carbon nanoscrolls

Coluci, VR ; Braga, SF ; Baughman, RH ; Galvao, DS

Prediction of the hydrogen storage capacity of carbon nanoscrolls Journal Article

Physical Review B, 75 (12), pp. 125404, 2007.

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

168.Hydrogen storage in carbon nanoscrolls: An atomistic molecular dynamics study

Braga, SF ; Coluci, VR ; Baughman, RH ; Galvao, DS

Hydrogen storage in carbon nanoscrolls: An atomistic molecular dynamics study Journal Article

Chemical Physics Letters, 441 (1), pp. 78–82, 2007.

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

167.Molecular dynamics simulation of single wall carbon nanotubes polymerization under compression

Braga, Scheila Furtado ; Galvao, Douglas Soares

Molecular dynamics simulation of single wall carbon nanotubes polymerization under compression Journal Article

Journal of Computational Chemistry, 28 (10), pp. 1724–1734, 2007.

Resumo | Links | BibTeX | Tags: Carbon Nanotubes, Mechanical Properties, Molecular Dynamics, New Structures, Polymerization

166.Size limit of defect formation in pyramidal Pt nanocontacts

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

Size limit of defect formation in pyramidal Pt nanocontacts Journal Article

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

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

165.Structural and electronic properties of zigzag carbon nanotubes filled with small fullerenes

Troche, KS ; Coluci, VR ; Rurali, R; Galvao, DS

Structural and electronic properties of zigzag carbon nanotubes filled with small fullerenes Journal Article

Journal of Physics: Condensed Matter, 19 (23), pp. 236222, 2007.

Resumo | Links | BibTeX | Tags: Carbon Nanotubes, CNT encapsulation, Electronic Structure, Fullerenes, Peapods

164.Is it possible to grow amorphous normal nanosprings?

Fonseca, Alexandre F; Malta, CP ; Galvao, DS

Is it possible to grow amorphous normal nanosprings? Journal Article

Nanotechnology, 18 (43), pp. 435606, 2007.

Resumo | Links | BibTeX | Tags: Elasticity, Helical Structures, Mechanical Properties, Nanowires

163.Cobaltocene encapsulation into single-walled carbon nanotubes: A molecular dynamics investigation

Azevedo, David L; Sato, Fernando ; Galvao, Douglas S; others,

Cobaltocene encapsulation into single-walled carbon nanotubes: A molecular dynamics investigation Journal Article

arXiv preprint arXiv:0707.3831, 2007.

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

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

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

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

arXiv preprint arXiv:0707.4187, 2007.

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

161.Atomistic study of the encapsulation of diamondoids inside carbon nanotubes

Troche, Karla S; Coluci, Vitor R; Galvao, Douglas S

Atomistic study of the encapsulation of diamondoids inside carbon nanotubes Journal Article

arXiv preprint arXiv:0707.1777, 2007.

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

160.Molecular Recognition Effects in the Surface Diffusion of Large Organic Molecules: The Case of Violet Lander

Sato, F; Legoas, SB ; Otero, R; Hummelink, F; Thostrup, P; Lægsgaard, E; Stensgaard, I; Besenbacher, F; Galvao, DS

Molecular Recognition Effects in the Surface Diffusion of Large Organic Molecules: The Case of Violet Lander Journal Article

arXiv preprint arXiv:0708.2915, 2007.

Resumo | Links | BibTeX | Tags: Molecular Dynamics, Molecular Machines, Organic-Inorganic Interfaces, Violet Landers

159.Structure-Activity Relationship Investigation of Some New Tetracyclines by Electronic Index Methodology

Sato, Fernando ; Braga, Scheila F; dos Santos, Helio F; Galvao, Douglas S

Structure-Activity Relationship Investigation of Some New Tetracyclines by Electronic Index Methodology Journal Article

arXiv preprint arXiv:0708.2931, 2007.

Resumo | Links | BibTeX | Tags: Drug Design, Electronic Structure, Neural Networks, PCA/HCA, Tetracyclines, Theory of Electronic Indices

158.Electronic and Mechanical Properties of Super Carbon Nanotube Networks

Coluci, VR ; Dantas, SO ; Jorio, A; Galvao, DS

Electronic and Mechanical Properties of Super Carbon Nanotube Networks Proceeding

Warrendale, Pa.; Materials Research Society; 1999, 963 , 2007.

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

157.Nanotube-or graphene-based nanoarmors

Pugno, Nicola ; Coluci, V; Galvao, DS

Nanotube-or graphene-based nanoarmors Book Chapter

Computational & Experimental Analysis of Damaged Materials, pp. 145-154 , 2007.

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

156.Elastic Properties of Normal and Binormal Helical Nanowires

Fonseca, AD ; Malta, CP ; Galvao, DS

Elastic Properties of Normal and Binormal Helical Nanowires Proceeding

Warrendale, Pa.; Materials Research Society; 1999, 963 , 2007.

Resumo | Links | BibTeX | Tags: Elasticity, Helical Structures, Mechanical Properties, Nanowires

2006

155.Geometric and electronic structure of carbon nanotube networks:'super'-carbon nanotubes

Coluci, Vitor R; Galvao, Douglas S; Jorio, A

Geometric and electronic structure of carbon nanotube networks:'super'-carbon nanotubes Journal Article

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

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

154.Experimental realization of suspended atomic chains composed of different atomic species

Bettini, Jefferson ; Sato, Fernando ; Coura, Pablo Zimmerman ; Dantas, SO ; Galvao, Douglas Soares ; Ugarte, Daniel

Experimental realization of suspended atomic chains composed of different atomic species Journal Article

Nature Nanotechnology, 1 (3), pp. 182–185, 2006.